(5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
type: datablock
datablock name: 5FF
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has pdbx chem comp audit category: pdbx chem comp auditCategory
has pdbx chem comp descriptor category: pdbx chem comp descriptorCategory
has pdbx chem comp identifier category: pdbx chem comp identifierCategory

5FF
type: chem comp
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
chem comp.id: 5FF
chem comp.formula: C24 H25 F3 N4 O2
chem comp.formula weight: 458.476
chem comp.name: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
chem comp.pdbx ambiguous flag: N
chem comp.pdbx formal charge: 0
chem comp.pdbx ideal coordinates details: Corina
chem comp.pdbx ideal coordinates missing flag: N
chem comp.pdbx initial date: 2015-09-18
chem comp.pdbx model coordinates db code: 5DU4
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2016-01-15
chem comp.pdbx processing site: EBI
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: 5FF
chem comp.type: non-polymer

C1,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.675
chem comp atom.model cartn y: 11.005
chem comp atom.model cartn z: 37.326
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C1
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.976
chem comp atom.pdbx model cartn y ideal: -0.102
chem comp atom.pdbx model cartn z ideal: 0.732
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C

C2,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: -14.645
chem comp atom.model cartn y: 11.770
chem comp atom.model cartn z: 36.413
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C2
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.397
chem comp atom.pdbx model cartn y ideal: -1.433
chem comp atom.pdbx model cartn z ideal: 0.101
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C3,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: -14.093
chem comp atom.model cartn y: 13.141
chem comp atom.model cartn z: 36.033
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C3
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.442
chem comp atom.pdbx model cartn y ideal: -2.534
chem comp atom.pdbx model cartn z ideal: 0.585
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

C5,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.304
chem comp atom.model cartn y: 13.085
chem comp atom.model cartn z: 38.427
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C5
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.759
chem comp atom.pdbx model cartn y ideal: -0.722
chem comp atom.pdbx model cartn z ideal: 0.283
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

F58,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: F58
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: F1
chem comp atom.charge: 0
chem comp atom.model cartn x: -14.619
chem comp atom.model cartn y: 15.170
chem comp atom.model cartn z: 34.951
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: F58
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.320
chem comp atom.pdbx model cartn y ideal: -3.471
chem comp atom.pdbx model cartn z ideal: -1.613
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: F

C13,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.128
chem comp atom.model cartn y: 14.005
chem comp atom.model cartn z: 35.322
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C13
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.612
chem comp atom.pdbx model cartn y ideal: -3.784
chem comp atom.pdbx model cartn z ideal: -0.281
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

F56,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: F56
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: F2
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.141
chem comp atom.model cartn y: 14.194
chem comp atom.model cartn z: 36.140
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: F56
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.739
chem comp atom.pdbx model cartn y ideal: -4.783
chem comp atom.pdbx model cartn z ideal: 0.165
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: F

F57,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: F57
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: F3
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.531
chem comp atom.model cartn y: 13.370
chem comp atom.model cartn z: 34.241
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: F57
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.931
chem comp atom.pdbx model cartn y ideal: -4.241
chem comp atom.pdbx model cartn z ideal: -0.188
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: F

C7,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: -14.248
chem comp atom.model cartn y: 9.681
chem comp atom.model cartn z: 37.656
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C7
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.005
chem comp atom.pdbx model cartn y ideal: 0.952
chem comp atom.pdbx model cartn z ideal: 0.413
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C8,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C8
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.276
chem comp atom.model cartn y: 9.561
chem comp atom.model cartn z: 38.584
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C8
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.957
chem comp atom.pdbx model cartn y ideal: 1.296
chem comp atom.pdbx model cartn z ideal: 1.354
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C9,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C9
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.806
chem comp atom.model cartn y: 8.313
chem comp atom.model cartn z: 38.886
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C9
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.901
chem comp atom.pdbx model cartn y ideal: 2.263
chem comp atom.pdbx model cartn z ideal: 1.061
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C10,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.319
chem comp atom.model cartn y: 7.172
chem comp atom.model cartn z: 38.256
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C10
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.892
chem comp atom.pdbx model cartn y ideal: 2.886
chem comp atom.pdbx model cartn z ideal: -0.172
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C32,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C32
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.887
chem comp atom.model cartn y: 5.807
chem comp atom.model cartn z: 38.574
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C32
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.921
chem comp atom.pdbx model cartn y ideal: 3.939
chem comp atom.pdbx model cartn z ideal: -0.492
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C33,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C33
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.747
chem comp atom.model cartn y: 5.468
chem comp atom.model cartn z: 40.041
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C33
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.389
chem comp atom.pdbx model cartn y ideal: 5.313
chem comp atom.pdbx model cartn z ideal: -0.080
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C11,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: -14.292
chem comp atom.model cartn y: 7.294
chem comp atom.model cartn z: 37.329
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C11
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.939
chem comp atom.pdbx model cartn y ideal: 2.543
chem comp atom.pdbx model cartn z ideal: -1.113
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C12,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.760
chem comp atom.model cartn y: 8.542
chem comp atom.model cartn z: 37.029
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C12
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.993
chem comp atom.pdbx model cartn y ideal: 1.579
chem comp atom.pdbx model cartn z ideal: -0.819
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N6,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N6
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.386
chem comp atom.model cartn y: 11.748
chem comp atom.model cartn z: 38.554
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N6
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.671
chem comp atom.pdbx model cartn y ideal: 0.308
chem comp atom.pdbx model cartn z ideal: 0.192
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N4,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N4
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: N2
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.624
chem comp atom.model cartn y: 13.702
chem comp atom.model cartn z: 37.320
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N4
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.070
chem comp atom.pdbx model cartn y ideal: -2.025
chem comp atom.pdbx model cartn z ideal: 0.461
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N19,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N19
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: N3
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.429
chem comp atom.model cartn y: 15.084
chem comp atom.model cartn z: 37.500
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N19
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.113
chem comp atom.pdbx model cartn y ideal: -2.763
chem comp atom.pdbx model cartn z ideal: 0.502
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C18,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C18
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C14
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.970
chem comp atom.model cartn y: 15.289
chem comp atom.model cartn z: 38.771
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C18
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.126
chem comp atom.pdbx model cartn y ideal: -1.954
chem comp atom.pdbx model cartn z ideal: 0.357
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C17,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C17
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C15
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.860
chem comp atom.model cartn y: 14.068
chem comp atom.model cartn z: 39.428
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C17
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.625
chem comp atom.pdbx model cartn y ideal: -0.637
chem comp atom.pdbx model cartn z ideal: 0.213
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C20,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C20
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C16
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.415
chem comp atom.model cartn y: 13.719
chem comp atom.model cartn z: 40.803
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C20
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.417
chem comp atom.pdbx model cartn y ideal: 0.584
chem comp atom.pdbx model cartn z ideal: 0.024
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O22,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: O22
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.427
chem comp atom.model cartn y: 12.555
chem comp atom.model cartn z: 41.184
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O22
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.860
chem comp atom.pdbx model cartn y ideal: 1.660
chem comp atom.pdbx model cartn z ideal: -0.088
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

N21,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N21
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: N4
chem comp atom.charge: 0
chem comp atom.model cartn x: -11.982
chem comp atom.model cartn y: 14.720
chem comp atom.model cartn z: 41.573
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N21
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.763
chem comp atom.pdbx model cartn y ideal: 0.514
chem comp atom.pdbx model cartn z ideal: -0.024
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C23,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C23
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C17
chem comp atom.charge: 0
chem comp atom.model cartn x: -11.524
chem comp atom.model cartn y: 14.490
chem comp atom.model cartn z: 42.931
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C23
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.553
chem comp atom.pdbx model cartn y ideal: 1.732
chem comp atom.pdbx model cartn z ideal: -0.212
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C24,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C24
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C18
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.654
chem comp atom.model cartn y: 14.894
chem comp atom.model cartn z: 43.850
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C24
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.019
chem comp atom.pdbx model cartn y ideal: 1.382
chem comp atom.pdbx model cartn z ideal: -0.231
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C25,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C25
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C19
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.821
chem comp atom.model cartn y: 16.230
chem comp atom.model cartn z: 44.198
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C25
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.639
chem comp atom.pdbx model cartn y ideal: 1.072
chem comp atom.pdbx model cartn z ideal: -1.427
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C26,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C26
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C20
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.861
chem comp atom.model cartn y: 16.609
chem comp atom.model cartn z: 45.039
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C26
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.983
chem comp atom.pdbx model cartn y ideal: 0.750
chem comp atom.pdbx model cartn z ideal: -1.447
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C27,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C27
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C21
chem comp atom.charge: 0
chem comp atom.model cartn x: -14.745
chem comp atom.model cartn y: 15.656
chem comp atom.model cartn z: 45.528
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C27
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.709
chem comp atom.pdbx model cartn y ideal: 0.739
chem comp atom.pdbx model cartn z ideal: -0.265
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O30,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: O30
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.770
chem comp atom.model cartn y: 16.042
chem comp atom.model cartn z: 46.357
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O30
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 9.031
chem comp atom.pdbx model cartn y ideal: 0.424
chem comp atom.pdbx model cartn z ideal: -0.282
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C31,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C31
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C22
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.877
chem comp atom.model cartn y: 15.172
chem comp atom.model cartn z: 46.592
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C31
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 9.716
chem comp atom.pdbx model cartn y ideal: 0.433
chem comp atom.pdbx model cartn z ideal: 0.972
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C28,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C28
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C23
chem comp atom.charge: 0
chem comp atom.model cartn x: -14.580
chem comp atom.model cartn y: 14.319
chem comp atom.model cartn z: 45.176
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C28
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.085
chem comp atom.pdbx model cartn y ideal: 1.052
chem comp atom.pdbx model cartn z ideal: 0.934
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C29,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C29
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: C24
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.537
chem comp atom.model cartn y: 13.939
chem comp atom.model cartn z: 44.337
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C29
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.742
chem comp atom.pdbx model cartn y ideal: 1.378
chem comp atom.pdbx model cartn z ideal: 0.947
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

H1,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.736
chem comp atom.model cartn y: 10.854
chem comp atom.model cartn z: 36.773
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H1
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.901
chem comp atom.pdbx model cartn y ideal: -0.220
chem comp atom.pdbx model cartn z ideal: 1.813
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.601
chem comp atom.model cartn y: 11.903
chem comp atom.model cartn z: 36.940
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H2
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.416
chem comp atom.pdbx model cartn y ideal: -1.675
chem comp atom.pdbx model cartn z ideal: 0.403
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: -14.810
chem comp atom.model cartn y: 11.185
chem comp atom.model cartn z: 35.496
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H3
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.346
chem comp atom.pdbx model cartn y ideal: -1.355
chem comp atom.pdbx model cartn z ideal: -0.985
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.232
chem comp atom.model cartn y: 13.000
chem comp atom.model cartn z: 35.363
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H4
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.654
chem comp atom.pdbx model cartn y ideal: -2.775
chem comp atom.pdbx model cartn z ideal: 1.627
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.665
chem comp atom.model cartn y: 10.442
chem comp atom.model cartn z: 39.073
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H5
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.964
chem comp atom.pdbx model cartn y ideal: 0.809
chem comp atom.pdbx model cartn z ideal: 2.318
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.600
chem comp atom.model cartn y: 8.228
chem comp atom.model cartn z: 39.613
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H6
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.645
chem comp atom.pdbx model cartn y ideal: 2.531
chem comp atom.pdbx model cartn z ideal: 1.796
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.954
chem comp atom.model cartn y: 5.794
chem comp atom.model cartn z: 38.306
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H7
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.126
chem comp atom.pdbx model cartn y ideal: 3.935
chem comp atom.pdbx model cartn z ideal: -1.563
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.351
chem comp atom.model cartn y: 5.051
chem comp atom.model cartn z: 37.981
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H8
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.840
chem comp atom.pdbx model cartn y ideal: 3.727
chem comp atom.pdbx model cartn z ideal: 0.054
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.171
chem comp atom.model cartn y: 4.471
chem comp atom.model cartn z: 40.229
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H9
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.134
chem comp atom.pdbx model cartn y ideal: 6.075
chem comp atom.pdbx model cartn z ideal: -0.311
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: -14.683
chem comp atom.model cartn y: 5.472
chem comp atom.model cartn z: 40.318
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H10
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.185
chem comp atom.pdbx model cartn y ideal: 5.318
chem comp atom.pdbx model cartn z ideal: 0.991
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.286
chem comp atom.model cartn y: 6.215
chem comp atom.model cartn z: 40.643
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H11
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.470
chem comp atom.pdbx model cartn y ideal: 5.526
chem comp atom.pdbx model cartn z ideal: -0.626
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.905
chem comp atom.model cartn y: 6.413
chem comp atom.model cartn z: 36.838
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H12
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.932
chem comp atom.pdbx model cartn y ideal: 3.030
chem comp atom.pdbx model cartn z ideal: -2.077
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H13,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H13
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.963
chem comp atom.model cartn y: 8.627
chem comp atom.model cartn z: 36.305
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H13
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.248
chem comp atom.pdbx model cartn y ideal: 1.311
chem comp atom.pdbx model cartn z ideal: -1.554
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: -14.112
chem comp atom.model cartn y: 11.547
chem comp atom.model cartn z: 39.212
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H14
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.758
chem comp atom.pdbx model cartn y ideal: 0.631
chem comp atom.pdbx model cartn z ideal: -0.760
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H15,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H15
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.730
chem comp atom.model cartn y: 16.251
chem comp atom.model cartn z: 39.199
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H15
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.168
chem comp atom.pdbx model cartn y ideal: -2.240
chem comp atom.pdbx model cartn z ideal: 0.348
chem comp atom.pdbx ordinal: 48
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H16,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H16
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: -11.973
chem comp atom.model cartn y: 15.650
chem comp atom.model cartn z: 41.206
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H16
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.207
chem comp atom.pdbx model cartn y ideal: -0.344
chem comp atom.pdbx model cartn z ideal: 0.065
chem comp atom.pdbx ordinal: 49
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H17,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H17
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H17
chem comp atom.charge: 0
chem comp atom.model cartn x: -11.282
chem comp atom.model cartn y: 13.426
chem comp atom.model cartn z: 43.074
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H17
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.280
chem comp atom.pdbx model cartn y ideal: 2.201
chem comp atom.pdbx model cartn z ideal: -1.158
chem comp atom.pdbx ordinal: 50
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H18,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H18
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H18
chem comp atom.charge: 0
chem comp atom.model cartn x: -10.632
chem comp atom.model cartn y: 15.100
chem comp atom.model cartn z: 43.138
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H18
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.355
chem comp atom.pdbx model cartn y ideal: 2.424
chem comp atom.pdbx model cartn z ideal: 0.607
chem comp atom.pdbx ordinal: 51
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H19,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H19
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H19
chem comp atom.charge: 0
chem comp atom.model cartn x: -12.141
chem comp atom.model cartn y: 16.975
chem comp atom.model cartn z: 43.814
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H19
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.073
chem comp atom.pdbx model cartn y ideal: 1.081
chem comp atom.pdbx model cartn z ideal: -2.347
chem comp atom.pdbx ordinal: 52
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H20,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H20
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H20
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.982
chem comp atom.model cartn y: 17.647
chem comp atom.model cartn z: 45.313
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H20
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.466
chem comp atom.pdbx model cartn y ideal: 0.507
chem comp atom.pdbx model cartn z ideal: -2.381
chem comp atom.pdbx ordinal: 53
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H21,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H21
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H21
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.587
chem comp atom.model cartn y: 15.658
chem comp atom.model cartn z: 47.278
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H21
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 10.761
chem comp atom.pdbx model cartn y ideal: 0.164
chem comp atom.pdbx model cartn z ideal: 0.817
chem comp atom.pdbx ordinal: 54
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H22,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H22
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H22
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.380
chem comp atom.model cartn y: 14.953
chem comp atom.model cartn z: 45.639
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H22
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 9.659
chem comp atom.pdbx model cartn y ideal: 1.429
chem comp atom.pdbx model cartn z ideal: 1.411
chem comp atom.pdbx ordinal: 55
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H23,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H23
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H23
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.517
chem comp atom.model cartn y: 14.234
chem comp atom.model cartn z: 47.040
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H23
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 9.252
chem comp atom.pdbx model cartn y ideal: -0.288
chem comp atom.pdbx model cartn z ideal: 1.645
chem comp atom.pdbx ordinal: 56
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H24,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H24
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H24
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.264
chem comp atom.model cartn y: 13.574
chem comp atom.model cartn z: 45.555
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H24
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.648
chem comp atom.pdbx model cartn y ideal: 1.043
chem comp atom.pdbx model cartn z ideal: 1.855
chem comp atom.pdbx ordinal: 57
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H25,5FF
type: chem comp atom
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H25
chem comp atom.comp id: 5FF
chem comp atom.alt atom id: H25
chem comp atom.charge: 0
chem comp atom.model cartn x: -13.414
chem comp atom.model cartn y: 12.901
chem comp atom.model cartn z: 44.064
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H25
chem comp atom.pdbx component comp id: 5FF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.257
chem comp atom.pdbx model cartn y ideal: 1.625
chem comp atom.pdbx model cartn z ideal: 1.880
chem comp atom.pdbx ordinal: 58
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

F57,C13,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: F57
chem comp bond.atom id 2: C13
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

F58,C13,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: F58
chem comp bond.atom id 2: C13
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C13,C3,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C3
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C13,F56,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: F56
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,C2,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C2
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,N4,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: N4
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,C1,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C1
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C12,C11,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C11
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C12,C7,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C7
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N4,N19,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: N4
chem comp bond.atom id 2: N19
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N4,C5,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: N4
chem comp bond.atom id 2: C5
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,C7,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C7
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,N6,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: N6
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,C10,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C10
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N19,C18,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: N19
chem comp bond.atom id 2: C18
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C7,C8,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C8
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C10,C32,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C32
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,C9,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C9
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C5,N6,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: N6
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C5,C17,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C17
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C32,C33,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C32
chem comp bond.atom id 2: C33
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C8,C9,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C9
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,C17,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C17
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C17,C20,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C20
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,O22,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: O22
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C20,N21,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: N21
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N21,C23,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: N21
chem comp bond.atom id 2: C23
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C23,C24,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C24
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 28
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C24,C25,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C25
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C24,C29,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C29
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C25,C26,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: C26
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C29,C28,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: C28
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 32
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C26,C27,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C27
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C28,C27,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: C27
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 34
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C27,O30,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: O30
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 35
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O30,C31,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: O30
chem comp bond.atom id 2: C31
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H1,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H1
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,H2,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H2
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 38
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,H3,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H3
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H4,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H4
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 40
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C8,H5,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H5
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,H6,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H6
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 42
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C32,H7,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C32
chem comp bond.atom id 2: H7
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 43
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C32,H8,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C32
chem comp bond.atom id 2: H8
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 44
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C33,H9,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C33
chem comp bond.atom id 2: H9
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 45
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C33,H10,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C33
chem comp bond.atom id 2: H10
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 46
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C33,H11,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C33
chem comp bond.atom id 2: H11
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 47
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,H12,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H12
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 48
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C12,H13,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H13
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 49
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N6,H14,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: N6
chem comp bond.atom id 2: H14
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 50
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,H15,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H15
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 51
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N21,H16,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: N21
chem comp bond.atom id 2: H16
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 52
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C23,H17,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: H17
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 53
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C23,H18,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: H18
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 54
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C25,H19,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: H19
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 55
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C26,H20,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: H20
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 56
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C31,H21,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: H21
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 57
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C31,H22,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: H22
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 58
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C31,H23,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: H23
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 59
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C28,H24,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: H24
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 60
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C29,H25,5FF
type: chem comp bond
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5FF/chem_comp_atom/,
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: H25
chem comp bond.comp id: 5FF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 61
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,5FF,2015-09-18
type: pdbx chem comp audit
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: 5FF
pdbx chem comp audit.date: 2015-09-18
pdbx chem comp audit.processing site: EBI

Initial release,5FF,2016-01-20
type: pdbx chem comp audit
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: 5FF
pdbx chem comp audit.date: 2016-01-20
pdbx chem comp audit.processing site: RCSB

5FF,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5FF
pdbx chem comp descriptor.program: ACDLabs
pdbx chem comp descriptor.program version: 12.01
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: C2(c1ccc(CC)cc1)Nc3c(cnn3C(C2)C(F)(F)F)C(=O)NCc4ccc(OC)cc4

5FF,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5FF
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChI
pdbx chem comp descriptor.descriptor: InChI=1S/C24H25F3N4O2/c1-3-15-4-8-17(9-5-15)20-12-21(24(25,26)27)31-22(30-20)19(14-29-31)23(32)28-13-16-6-10-18(33-2)11-7-16/h4-11,14,20-21,30H,3,12-13H2,1-2H3,(H,28,32)/t20-,21+/m1/s1

5FF,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5FF
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChIKey
pdbx chem comp descriptor.descriptor: YSDVNFWVVPHGFX-RTWAWAEBSA-N

5FF,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5FF
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: CCc1ccc(cc1)[C@H]2C[C@H](n3ncc(C(=O)NCc4ccc(OC)cc4)c3N2)C(F)(F)F

5FF,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5FF
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CCc1ccc(cc1)[CH]2C[CH](n3ncc(C(=O)NCc4ccc(OC)cc4)c3N2)C(F)(F)F

5FF,OpenEye OEToolkits,1.9.2,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5FF
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.9.2
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cc4)OC)N2)C(F)(F)F

5FF,OpenEye OEToolkits,1.9.2,SMILES
type: pdbx chem comp descriptor
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5FF
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.9.2
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CCc1ccc(cc1)C2CC(n3c(c(cn3)C(=O)NCc4ccc(cc4)OC)N2)C(F)(F)F

5FF,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 5FF
pdbx chem comp identifier.program: ACDLabs
pdbx chem comp identifier.program version: 12.01
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

5FF,OpenEye OEToolkits,1.9.2,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 5FF
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 1.9.2
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: (5R,7S)-5-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide