2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide

C132H128F12N18O15 — CID 159943458

IUPAC2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide
SMILESN#Cc1cc(OCc2ccccc2-c2ccc(C(F)(F)F)cc2)n(CC(=O)N[C@@H]2CCCC[C@@H]2OCc2ccccc2)n1.NC(=O)c1cc(OCc2ccccc2-c2ccc(C(F)(F)F)cc2)n(CC(=O)N[C@@H]2CCCC[C@@H]2OCc2ccccc2)n1.O=C(Cn1nc(-c2nn[nH]n2)cc1OCc1ccccc1-c1ccc(C(F)(F)F)cc1)N[C@@H]1CCCC[C@@H]1OCc1ccccc1.O=C(Cn1nc(C(=O)O)cc1OCc1ccccc1-c1ccc(C(F)(F)F)cc1)N[C@@H]1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C33H32F3N7O3.C33H33F3N4O4.C33H31F3N4O3.C33H32F3N3O5/c34-33(35,36)25-16-14-23(15-17-25)26-11-5-4-10-24(26)21-46-31-18-28(32-38-41-42-39-32)40-43(31)19-30(44)37-27-12-6-7-13-29(27)45-20-22-8-2-1-3-9-22;34-33(35,36)25-16-14-23(15-17-25)26-11-5-4-10-24(26)21-44-31-18-28(32(37)42)39-40(31)19-30(41)38-27-12-6-7-13-29(27)43-20-22-8-2-1-3-9-22;34-33(35,36)26-16-14-24(15-17-26)28-11-5-4-10-25(28)22-43-32-18-27(19-37)39-40(32)20-31(41)38-29-12-6-7-13-30(29)42-21-23-8-2-1-3-9-23;34-33(35,36)25-16-14-23(15-17-25)26-11-5-4-10-24(26)21-44-31-18-28(32(41)42)38-39(31)19-30(40)37-27-12-6-7-13-29(27)43-20-22-8-2-1-3-9-22/h1-5,8-11,14-18,27,29H,6-7,12-13,19-21H2,(H,37,44)(H,38,39,41,42);1-5,8-11,14-18,27,29H,6-7,12-13,19-21H2,(H2,37,42)(H,38,41);1-5,8-11,14-18,29-30H,6-7,12-13,20-22H2,(H,38,41);1-5,8-11,14-18,27,29H,6-7,12-13,19-21H2,(H,37,40)(H,41,42)/t2*27-,29+;29-,30+;27-,29+/m1111/s1
InChIKeyOBEKOBVTURRJCD-VDHSDQNJSA-N
MW2434.56 g/mol
LogP25.02
Rot. Bonds43

About 2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide

2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide (PubChem CID 159943458) has the molecular formula C132H128F12N18O15 and a molecular weight of 2434.56 g/mol. Its IUPAC name is 2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide
PubChem CID159943458
Molecular FormulaC132H128F12N18O15
Molecular Weight2434.56 g/mol
Exact Mass2432.96
IUPAC Name2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide
SMILESN#Cc1cc(OCc2ccccc2-c2ccc(C(F)(F)F)cc2)n(CC(=O)N[C@@H]2CCCC[C@@H]2OCc2ccccc2)n1.NC(=O)c1cc(OCc2ccccc2-c2ccc(C(F)(F)F)cc2)n(CC(=O)N[C@@H]2CCCC[C@@H]2OCc2ccccc2)n1.O=C(Cn1nc(-c2nn[nH]n2)cc1OCc1ccccc1-c1ccc(C(F)(F)F)cc1)N[C@@H]1CCCC[C@@H]1OCc1ccccc1.O=C(Cn1nc(C(=O)O)cc1OCc1ccccc1-c1ccc(C(F)(F)F)cc1)N[C@@H]1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C33H32F3N7O3.C33H33F3N4O4.C33H31F3N4O3.C33H32F3N3O5/c34-33(35,36)25-16-14-23(15-17-25)26-11-5-4-10-24(26)21-46-31-18-28(32-38-41-42-39-32)40-43(31)19-30(44)37-27-12-6-7-13-29(27)45-20-22-8-2-1-3-9-22;34-33(35,36)25-16-14-23(15-17-25)26-11-5-4-10-24(26)21-44-31-18-28(32(37)42)39-40(31)19-30(41)38-27-12-6-7-13-29(27)43-20-22-8-2-1-3-9-22;34-33(35,36)26-16-14-24(15-17-26)28-11-5-4-10-25(28)22-43-32-18-27(19-37)39-40(32)20-31(41)38-29-12-6-7-13-30(29)42-21-23-8-2-1-3-9-23;34-33(35,36)25-16-14-23(15-17-25)26-11-5-4-10-24(26)21-44-31-18-28(32(41)42)38-39(31)19-30(40)37-27-12-6-7-13-29(27)43-20-22-8-2-1-3-9-22/h1-5,8-11,14-18,27,29H,6-7,12-13,19-21H2,(H,37,44)(H,38,39,41,42);1-5,8-11,14-18,27,29H,6-7,12-13,19-21H2,(H2,37,42)(H,38,41);1-5,8-11,14-18,29-30H,6-7,12-13,20-22H2,(H,38,41);1-5,8-11,14-18,27,29H,6-7,12-13,19-21H2,(H,37,40)(H,41,42)/t2*27-,29+;29-,30+;27-,29+/m1111/s1
InChIKeyOBEKOBVTURRJCD-VDHSDQNJSA-N
XLogP25.02
TPSA420.16 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds43
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002434.56
LogP ≤ 525.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide (CID 159943458) is 2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide is N#Cc1cc(OCc2ccccc2-c2ccc(C(F)(F)F)cc2)n(CC(=O)N[C@@H]2CCCC[C@@H]2OCc2ccccc2)n1.NC(=O)c1cc(OCc2ccccc2-c2ccc(C(F)(F)F)cc2)n(CC(=O)N[C@@H]2CCCC[C@@H]2OCc2ccccc2)n1.O=C(Cn1nc(-c2nn[nH]n2)cc1OCc1ccccc1-c1ccc(C(F)(F)F)cc1)N[C@@H]1CCCC[C@@H]1OCc1ccccc1.O=C(Cn1nc(C(=O)O)cc1OCc1ccccc1-c1ccc(C(F)(F)F)cc1)N[C@@H]1CCCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide?
The InChIKey is OBEKOBVTURRJCD-VDHSDQNJSA-N. The full InChI is InChI=1S/C33H32F3N7O3.C33H33F3N4O4.C33H31F3N4O3.C33H32F3N3O5/c34-33(35,36)25-16-14-23(15-17-25)26-11-5-4-10-24(26)21-46-31-18-28(32-38-41-42-39-32)40-43(31)19-30(44)37-27-12-6-7-13-29(27)45-20-22-8-2-1-3-9-22;34-33(35,36)25-16-14-23(15-17-25)26-11-5-4-10-24(26)21-44-31-18-28(32(37)42)39-40(31)19-30(41)38-27-12-6-7-13-29(27)43-20-22-8-2-1-3-9-22;34-33(35,36)26-16-14-24(15-17-26)28-11-5-4-10-25(28)22-43-32-18-27(19-37)39-40(32)20-31(41)38-29-12-6-7-13-30(29)42-21-23-8-2-1-3-9-23;34-33(35,36)25-16-14-23(15-17-25)26-11-5-4-10-24(26)21-44-31-18-28(32(41)42)38-39(31)19-30(40)37-27-12-6-7-13-29(27)43-20-22-8-2-1-3-9-22/h1-5,8-11,14-18,27,29H,6-7,12-13,19-21H2,(H,37,44)(H,38,39,41,42);1-5,8-11,14-18,27,29H,6-7,12-13,19-21H2,(H2,37,42)(H,38,41);1-5,8-11,14-18,29-30H,6-7,12-13,20-22H2,(H,38,41);1-5,8-11,14-18,27,29H,6-7,12-13,19-21H2,(H,37,40)(H,41,42)/t2*27-,29+;29-,30+;27-,29+/m1111/s1.
What are the key properties of 2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide?
2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide has a molecular weight of 2434.56 g/mol, XLogP of 25.02, 43 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]-N-[(1R,2S)-2-phenylmethoxycyclohexyl]acetamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxamide;1-[2-oxo-2-[[(1R,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazole-3-carboxylic acid;N-[(1R,2S)-2-phenylmethoxycyclohexyl]-2-[3-(2H-tetrazol-5-yl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazol-1-yl]acetamide is sourced from PubChem (CID 159943458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).