3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide

C132H160N22O19 — CID 162044266

IUPAC3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide
SMILESN#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2OCc2ccccc2)n(CC(=O)N[C@H]2CCCC[C@@H]2OCc2ccccc2)n1.NC(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2OCc2ccccc2)n(CC(=O)N[C@H]2CCCC[C@@H]2OCc2ccccc2)n1.O=C(Cn1nc(-c2nn[nH]n2)cc1C(=O)N[C@@H]1CCCC[C@H]1OCc1ccccc1)N[C@H]1CCCC[C@@H]1OCc1ccccc1.O=C(Cn1nc(C(=O)O)cc1C(=O)N[C@@H]1CCCC[C@H]1OCc1ccccc1)N[C@H]1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C33H40N8O4.C33H41N5O5.C33H39N5O4.C33H40N4O6/c42-31(34-25-15-7-9-17-29(25)44-21-23-11-3-1-4-12-23)20-41-28(19-27(38-41)32-36-39-40-37-32)33(43)35-26-16-8-10-18-30(26)45-22-24-13-5-2-6-14-24;34-32(40)27-19-28(33(41)36-26-16-8-10-18-30(26)43-22-24-13-5-2-6-14-24)38(37-27)20-31(39)35-25-15-7-9-17-29(25)42-21-23-11-3-1-4-12-23;34-20-26-19-29(33(40)36-28-16-8-10-18-31(28)42-23-25-13-5-2-6-14-25)38(37-26)21-32(39)35-27-15-7-9-17-30(27)41-22-24-11-3-1-4-12-24;38-31(34-25-15-7-9-17-29(25)42-21-23-11-3-1-4-12-23)20-37-28(19-27(36-37)33(40)41)32(39)35-26-16-8-10-18-30(26)43-22-24-13-5-2-6-14-24/h1-6,11-14,19,25-26,29-30H,7-10,15-18,20-22H2,(H,34,42)(H,35,43)(H,36,37,39,40);1-6,11-14,19,25-26,29-30H,7-10,15-18,20-22H2,(H2,34,40)(H,35,39)(H,36,41);1-6,11-14,19,27-28,30-31H,7-10,15-18,21-23H2,(H,35,39)(H,36,40);1-6,11-14,19,25-26,29-30H,7-10,15-18,20-22H2,(H,34,38)(H,35,39)(H,40,41)/t2*25-,26+,29-,30+;27-,28+,30-,31+;25-,26+,29-,30+/m0000/s1
InChIKeyYXRJYIXETDGSJN-NNOHDLLKSA-N
MW2358.87 g/mol
LogP16.99
Rot. Bonds47

About 3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide

3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide (PubChem CID 162044266) has the molecular formula C132H160N22O19 and a molecular weight of 2358.87 g/mol. Its IUPAC name is 3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide
PubChem CID162044266
Molecular FormulaC132H160N22O19
Molecular Weight2358.87 g/mol
Exact Mass2357.22
IUPAC Name3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide
SMILESN#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2OCc2ccccc2)n(CC(=O)N[C@H]2CCCC[C@@H]2OCc2ccccc2)n1.NC(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2OCc2ccccc2)n(CC(=O)N[C@H]2CCCC[C@@H]2OCc2ccccc2)n1.O=C(Cn1nc(-c2nn[nH]n2)cc1C(=O)N[C@@H]1CCCC[C@H]1OCc1ccccc1)N[C@H]1CCCC[C@@H]1OCc1ccccc1.O=C(Cn1nc(C(=O)O)cc1C(=O)N[C@@H]1CCCC[C@H]1OCc1ccccc1)N[C@H]1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C33H40N8O4.C33H41N5O5.C33H39N5O4.C33H40N4O6/c42-31(34-25-15-7-9-17-29(25)44-21-23-11-3-1-4-12-23)20-41-28(19-27(38-41)32-36-39-40-37-32)33(43)35-26-16-8-10-18-30(26)45-22-24-13-5-2-6-14-24;34-32(40)27-19-28(33(41)36-26-16-8-10-18-30(26)43-22-24-13-5-2-6-14-24)38(37-27)20-31(39)35-25-15-7-9-17-29(25)42-21-23-11-3-1-4-12-23;34-20-26-19-29(33(40)36-28-16-8-10-18-31(28)42-23-25-13-5-2-6-14-25)38(37-26)21-32(39)35-27-15-7-9-17-30(27)41-22-24-11-3-1-4-12-24;38-31(34-25-15-7-9-17-29(25)42-21-23-11-3-1-4-12-23)20-37-28(19-27(36-37)33(40)41)32(39)35-26-16-8-10-18-30(26)43-22-24-13-5-2-6-14-24/h1-6,11-14,19,25-26,29-30H,7-10,15-18,20-22H2,(H,34,42)(H,35,43)(H,36,37,39,40);1-6,11-14,19,25-26,29-30H,7-10,15-18,20-22H2,(H2,34,40)(H,35,39)(H,36,41);1-6,11-14,19,27-28,30-31H,7-10,15-18,21-23H2,(H,35,39)(H,36,40);1-6,11-14,19,25-26,29-30H,7-10,15-18,20-22H2,(H,34,38)(H,35,39)(H,40,41)/t2*25-,26+,29-,30+;27-,28+,30-,31+;25-,26+,29-,30+/m0000/s1
InChIKeyYXRJYIXETDGSJN-NNOHDLLKSA-N
XLogP16.99
TPSA536.56 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds47
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002358.87
LogP ≤ 516.99
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Analyze 3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide with MolForge

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Related Compounds

1H-Pyrazole-1-acetamide, N-[(1S,2S)-2-(phenylmethoxy)cyclohexyl]-5-[[[(1S,2S)-2-(phenylmethoxy)cyclohexyl]amino]carbonyl]-3-(1H-tetrazol-5-yl)-
CID 11671686
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
1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide
CID 58646697
1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid
CID 68920267
1-[2-oxo-2-[[(1R,2R)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide
CID 89946558
1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide
CID 91141875
1-benzyl-N-[(1-cyanopyrrolidin-3-yl)methyl]-5-methylpyrazole-3-carboxamide;1-benzyl-5-methylpyrazole-3-carboxylic acid;tert-butyl 3-[[(1-benzyl-5-methylpyrazole-3-carbonyl)amino]methyl]pyrrolidine-1-carboxylate;ethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate
CID 158872495
lithium;tert-butyl 2-bromoacetate;1-(carboxymethyl)-3-ethoxycarbonylpyrazole-5-carboxylic acid;diethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazole-3,5-dicarboxylate;diethyl 1H-pyrazole-3,5-dicarboxylate;3-ethoxycarbonyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazole-5-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;trans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine;hydroxide
CID 161049626
1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-(2-phenylmethoxycyclohexyl)-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide
CID 11714215

Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide (CID 162044266) is 3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide is N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2OCc2ccccc2)n(CC(=O)N[C@H]2CCCC[C@@H]2OCc2ccccc2)n1.NC(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2OCc2ccccc2)n(CC(=O)N[C@H]2CCCC[C@@H]2OCc2ccccc2)n1.O=C(Cn1nc(-c2nn[nH]n2)cc1C(=O)N[C@@H]1CCCC[C@H]1OCc1ccccc1)N[C@H]1CCCC[C@@H]1OCc1ccccc1.O=C(Cn1nc(C(=O)O)cc1C(=O)N[C@@H]1CCCC[C@H]1OCc1ccccc1)N[C@H]1CCCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide?
The InChIKey is YXRJYIXETDGSJN-NNOHDLLKSA-N. The full InChI is InChI=1S/C33H40N8O4.C33H41N5O5.C33H39N5O4.C33H40N4O6/c42-31(34-25-15-7-9-17-29(25)44-21-23-11-3-1-4-12-23)20-41-28(19-27(38-41)32-36-39-40-37-32)33(43)35-26-16-8-10-18-30(26)45-22-24-13-5-2-6-14-24;34-32(40)27-19-28(33(41)36-26-16-8-10-18-30(26)43-22-24-13-5-2-6-14-24)38(37-27)20-31(39)35-25-15-7-9-17-29(25)42-21-23-11-3-1-4-12-23;34-20-26-19-29(33(40)36-28-16-8-10-18-31(28)42-23-25-13-5-2-6-14-25)38(37-26)21-32(39)35-27-15-7-9-17-30(27)41-22-24-11-3-1-4-12-24;38-31(34-25-15-7-9-17-29(25)42-21-23-11-3-1-4-12-23)20-37-28(19-27(36-37)33(40)41)32(39)35-26-16-8-10-18-30(26)43-22-24-13-5-2-6-14-24/h1-6,11-14,19,25-26,29-30H,7-10,15-18,20-22H2,(H,34,42)(H,35,43)(H,36,37,39,40);1-6,11-14,19,25-26,29-30H,7-10,15-18,20-22H2,(H2,34,40)(H,35,39)(H,36,41);1-6,11-14,19,27-28,30-31H,7-10,15-18,21-23H2,(H,35,39)(H,36,40);1-6,11-14,19,25-26,29-30H,7-10,15-18,20-22H2,(H,34,38)(H,35,39)(H,40,41)/t2*25-,26+,29-,30+;27-,28+,30-,31+;25-,26+,29-,30+/m0000/s1.
What are the key properties of 3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide?
3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide has a molecular weight of 2358.87 g/mol, XLogP of 16.99, 47 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide;1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 162044266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).