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

C74H85F9N18O6 — CID 160606771

IUPAC1-[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(NCc2cccc(CC(F)(F)F)c2)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/2C25H29F3N6O2.C24H27F3N6O2/c26-25(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/h1-3,12,15,18-19,31H,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)
InChIKeyREYXYELNHKUFRZ-UHFFFAOYSA-N
MW1493.60 g/mol
LogP11.24
Rot. Bonds26

About 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-[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 160606771) has the molecular formula C74H85F9N18O6 and a molecular weight of 1493.60 g/mol. Its IUPAC name is 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-[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 CID160606771
Molecular FormulaC74H85F9N18O6
Molecular Weight1493.60 g/mol
Exact Mass1492.68
IUPAC Name1-[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(NCc2cccc(CC(F)(F)F)c2)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/2C25H29F3N6O2.C24H27F3N6O2/c26-25(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/h1-3,12,15,18-19,31H,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)
InChIKeyREYXYELNHKUFRZ-UHFFFAOYSA-N
XLogP11.24
TPSA377.49 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001493.60
LogP ≤ 511.24
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze 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

US11731943, Example 127
CID 132100745
1-[1-(Cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 132101510
1-[1-(Cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 132101517
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-[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
1-[(1S,4S)-7-cyano-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]-1-bicyclo[4.1.0]heptanyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 163814776
1-[1-(Cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 132101509
1-[4-(Benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 132101511

Frequently Asked Questions

What is the IUPAC name of 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-[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) is 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-[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-[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(NCc2cccc(CC(F)(F)F)c2)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-[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 REYXYELNHKUFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H29F3N6O2.C24H27F3N6O2/c26-25(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/h1-3,12,15,18-19,31H,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-[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-[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 1493.60 g/mol, XLogP of 11.24, 26 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 160606771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).