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

C89H100N18O6 — CID 159771651

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
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(NCc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C31H36N6O2.2C29H32N6O2/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/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)
InChIKeyNGENBBPYWVAKOD-UHFFFAOYSA-N
MW1517.90 g/mol
LogP13.23
Rot. Bonds29

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-[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 (PubChem CID 159771651) has the molecular formula C89H100N18O6 and a molecular weight of 1517.90 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.

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
PubChem CID159771651
Molecular FormulaC89H100N18O6
Molecular Weight1517.90 g/mol
Exact Mass1516.81
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
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(NCc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C31H36N6O2.2C29H32N6O2/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/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)
InChIKeyNGENBBPYWVAKOD-UHFFFAOYSA-N
XLogP13.23
TPSA368.70 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001517.90
LogP ≤ 513.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

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 with MolForge

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Related Compounds

US11731943, Example 245
CID 132101128
US11731943, Example 109
CID 132100621
US11731943, Example 127
CID 132100745
US11731943, Example 38
CID 132100899
1-[1-(Cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 132101510
1-[1-(Cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 132101518
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-[4-[[2-[2-[[4-[Amino(hydroxy)methyl]-1-[1-(cyanomethyl)-4-[(4-fluorophenyl)methylamino]cyclohexyl]pyrazol-3-yl]carbamoyl]cyclopropyl]-4-fluorophenyl]methylamino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 137536648
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
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

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?
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 (CID 159771651) 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.
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?
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 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(NCc2ccccc2-c2ccccc2)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?
The InChIKey is NGENBBPYWVAKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O2.2C29H32N6O2/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/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).
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-[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 has a molecular weight of 1517.90 g/mol, XLogP of 13.23, 29 rotatable bonds, 8 hydrogen bond donors, and 18 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 is sourced from PubChem (CID 159771651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).