1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide

C163H185F9N36O12 — CID 159410035

IUPAC1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
SMILESN#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N(CCc2ccccc2)Cc2ccccc2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NC(c2ccccc2)c2ccccc2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2cccc(CC(F)(F)F)c2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2-c2ccccc2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2C(F)(F)F)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2CC(F)(F)F)CC1
InChIInChI=1S/C31H36N6O2.2C29H32N6O2.2C25H29F3N6O2.C24H27F3N6O2/c32-19-18-31(37-22-27(28(33)38)29(35-37)34-30(39)25-11-12-25)16-13-26(14-17-31)36(21-24-9-5-2-6-10-24)20-15-23-7-3-1-4-8-23;30-18-17-29(35-19-24(26(31)36)27(34-35)33-28(37)22-11-12-22)15-13-23(14-16-29)32-25(20-7-3-1-4-8-20)21-9-5-2-6-10-21;30-17-16-29(35-19-25(26(31)36)27(34-35)33-28(37)21-10-11-21)14-12-23(13-15-29)32-18-22-8-4-5-9-24(22)20-6-2-1-3-7-20;26-25(27,28)13-16-2-1-3-17(12-16)14-31-19-6-8-24(9-7-19,10-11-29)34-15-20(21(30)35)22(33-34)32-23(36)18-4-5-18;26-25(27,28)13-17-3-1-2-4-18(17)14-31-19-7-9-24(10-8-19,11-12-29)34-15-20(21(30)35)22(33-34)32-23(36)16-5-6-16;25-24(26,27)19-4-2-1-3-16(19)13-30-17-7-9-23(10-8-17,11-12-28)33-14-18(20(29)34)21(32-33)31-22(35)15-5-6-15/h1-10,22,25-26H,11-18,20-21H2,(H2,33,38)(H,34,35,39);1-10,19,22-23,25,32H,11-17H2,(H2,31,36)(H,33,34,37);1-9,19,21,23,32H,10-16,18H2,(H2,31,36)(H,33,34,37);1-3,12,15,18-19,31H,4-10,13-14H2,(H2,30,35)(H,32,33,36);1-4,15-16,19,31H,5-11,13-14H2,(H2,30,35)(H,32,33,36);1-4,14-15,17,30H,5-11,13H2,(H2,29,34)(H,31,32,35)
InChIKeyLOLSJTMBJODYCF-UHFFFAOYSA-N
MW3011.49 g/mol
LogP24.47
Rot. Bonds55

About 1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide

1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide (PubChem CID 159410035) has the molecular formula C163H185F9N36O12 and a molecular weight of 3011.49 g/mol. Its IUPAC name is 1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
PubChem CID159410035
Molecular FormulaC163H185F9N36O12
Molecular Weight3011.49 g/mol
Exact Mass3009.48
IUPAC Name1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
SMILESN#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N(CCc2ccccc2)Cc2ccccc2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NC(c2ccccc2)c2ccccc2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2cccc(CC(F)(F)F)c2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2-c2ccccc2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2C(F)(F)F)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2CC(F)(F)F)CC1
InChIInChI=1S/C31H36N6O2.2C29H32N6O2.2C25H29F3N6O2.C24H27F3N6O2/c32-19-18-31(37-22-27(28(33)38)29(35-37)34-30(39)25-11-12-25)16-13-26(14-17-31)36(21-24-9-5-2-6-10-24)20-15-23-7-3-1-4-8-23;30-18-17-29(35-19-24(26(31)36)27(34-35)33-28(37)22-11-12-22)15-13-23(14-16-29)32-25(20-7-3-1-4-8-20)21-9-5-2-6-10-21;30-17-16-29(35-19-25(26(31)36)27(34-35)33-28(37)21-10-11-21)14-12-23(13-15-29)32-18-22-8-4-5-9-24(22)20-6-2-1-3-7-20;26-25(27,28)13-16-2-1-3-17(12-16)14-31-19-6-8-24(9-7-19,10-11-29)34-15-20(21(30)35)22(33-34)32-23(36)18-4-5-18;26-25(27,28)13-17-3-1-2-4-18(17)14-31-19-7-9-24(10-8-19,11-12-29)34-15-20(21(30)35)22(33-34)32-23(36)16-5-6-16;25-24(26,27)19-4-2-1-3-16(19)13-30-17-7-9-23(10-8-17,11-12-28)33-14-18(20(29)34)21(32-33)31-22(35)15-5-6-15/h1-10,22,25-26H,11-18,20-21H2,(H2,33,38)(H,34,35,39);1-10,19,22-23,25,32H,11-17H2,(H2,31,36)(H,33,34,37);1-9,19,21,23,32H,10-16,18H2,(H2,31,36)(H,33,34,37);1-3,12,15,18-19,31H,4-10,13-14H2,(H2,30,35)(H,32,33,36);1-4,15-16,19,31H,5-11,13-14H2,(H2,30,35)(H,32,33,36);1-4,14-15,17,30H,5-11,13H2,(H2,29,34)(H,31,32,35)
InChIKeyLOLSJTMBJODYCF-UHFFFAOYSA-N
XLogP24.47
TPSA746.19 Ų
H-Bond Donors17
H-Bond Acceptors36
Rotatable Bonds55
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003011.49
LogP ≤ 524.47
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1036

Analyze 1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide with MolForge

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Related Compounds

1-[4-[[2-[2-[[4-Carbamoyl-1-[1-(cyanomethyl)-4-[(2-fluorophenyl)methylamino]cyclohexyl]pyrazol-3-yl]carbamoyl]cyclopropyl]phenyl]methylamino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 137536457
1-[4-[[[2-[[4-Carbamoyl-1-[1-(cyanomethyl)-4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrazol-3-yl]carbamoyl]cyclopropyl]-(4-phenylphenyl)methyl]amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 137536585
1-[1-[(3-Cyanophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[(4-cyanophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 159340271
3-Acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide
CID 159963609
Bis(3-(cyclopropanecarbonylamino)-1-[4-[ethyl(methyl)amino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]pyrazole-4-carboxamide);3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]pyrazole-4-carboxamide
CID 160007465
1-[1-(Cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 160606771
1-[1-(Cyanomethyl)-4-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;bis(3-(cyclopropanecarbonylamino)-1-[4-[ethyl(methyl)amino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]pyrazole-4-carboxamide
CID 160838483
3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide
CID 161421439
1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate
CID 157293724
3-(Cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[(3-isocyanophenyl)methylamino]cyclohexyl]pyrazole-4-carboxamide;bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(propylamino)cyclohexyl]pyrazole-4-carboxamide)
CID 157364881
Bis(1-[4-(benzylamino)-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(2-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[4-[(3-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide)
CID 157528363
Bis(1-[4-[(2-chlorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);1-[4-[(4-chlorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;bis(3-(cyclopropanecarbonylamino)-1-[4-[(4-fluorophenyl)methylamino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide)
CID 157715266

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide (CID 159410035) is 1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide is N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N(CCc2ccccc2)Cc2ccccc2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NC(c2ccccc2)c2ccccc2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2cccc(CC(F)(F)F)c2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2-c2ccccc2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2C(F)(F)F)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2CC(F)(F)F)CC1.
What is the InChIKey of 1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide?
The InChIKey is LOLSJTMBJODYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O2.2C29H32N6O2.2C25H29F3N6O2.C24H27F3N6O2/c32-19-18-31(37-22-27(28(33)38)29(35-37)34-30(39)25-11-12-25)16-13-26(14-17-31)36(21-24-9-5-2-6-10-24)20-15-23-7-3-1-4-8-23;30-18-17-29(35-19-24(26(31)36)27(34-35)33-28(37)22-11-12-22)15-13-23(14-16-29)32-25(20-7-3-1-4-8-20)21-9-5-2-6-10-21;30-17-16-29(35-19-25(26(31)36)27(34-35)33-28(37)21-10-11-21)14-12-23(13-15-29)32-18-22-8-4-5-9-24(22)20-6-2-1-3-7-20;26-25(27,28)13-16-2-1-3-17(12-16)14-31-19-6-8-24(9-7-19,10-11-29)34-15-20(21(30)35)22(33-34)32-23(36)18-4-5-18;26-25(27,28)13-17-3-1-2-4-18(17)14-31-19-7-9-24(10-8-19,11-12-29)34-15-20(21(30)35)22(33-34)32-23(36)16-5-6-16;25-24(26,27)19-4-2-1-3-16(19)13-30-17-7-9-23(10-8-17,11-12-28)33-14-18(20(29)34)21(32-33)31-22(35)15-5-6-15/h1-10,22,25-26H,11-18,20-21H2,(H2,33,38)(H,34,35,39);1-10,19,22-23,25,32H,11-17H2,(H2,31,36)(H,33,34,37);1-9,19,21,23,32H,10-16,18H2,(H2,31,36)(H,33,34,37);1-3,12,15,18-19,31H,4-10,13-14H2,(H2,30,35)(H,32,33,36);1-4,15-16,19,31H,5-11,13-14H2,(H2,30,35)(H,32,33,36);1-4,14-15,17,30H,5-11,13H2,(H2,29,34)(H,31,32,35).
What are the key properties of 1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide?
1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide has a molecular weight of 3011.49 g/mol, XLogP of 24.47, 55 rotatable bonds, 17 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 159410035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).