5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide

C47H57N5O5 — CID 143225421

IUPAC5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide
SMILESC=C(NC(=O)c1cc(C(=O)Nc2ccccc2-c2ccccc2)nn1CC(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1)C1CCCC[C@@H]1OCC1CCCCC1
InChIInChI=1S/C47H57N5O5/c1-33(37-23-12-15-27-43(37)56-31-34-17-5-2-6-18-34)48-47(55)42-29-41(46(54)50-39-25-13-11-24-38(39)36-21-9-4-10-22-36)51-52(42)30-45(53)49-40-26-14-16-28-44(40)57-32-35-19-7-3-8-20-35/h3-4,7-11,13,19-22,24-25,29,34,37,40,43-44H,1-2,5-6,12,14-18,23,26-28,30-32H2,(H,48,55)(H,49,53)(H,50,54)/t37?,40-,43-,44-/m0/s1
InChIKeyUMAALYFGYKZMPC-VFBUOOHCSA-N
MW772.00 g/mol
LogP8.85
Rot. Bonds15

About 5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide

5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide (PubChem CID 143225421) has the molecular formula C47H57N5O5 and a molecular weight of 772.00 g/mol. Its IUPAC name is 5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide
PubChem CID143225421
Molecular FormulaC47H57N5O5
Molecular Weight772.00 g/mol
Exact Mass771.44
IUPAC Name5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide
SMILESC=C(NC(=O)c1cc(C(=O)Nc2ccccc2-c2ccccc2)nn1CC(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1)C1CCCC[C@@H]1OCC1CCCCC1
InChIInChI=1S/C47H57N5O5/c1-33(37-23-12-15-27-43(37)56-31-34-17-5-2-6-18-34)48-47(55)42-29-41(46(54)50-39-25-13-11-24-38(39)36-21-9-4-10-22-36)51-52(42)30-45(53)49-40-26-14-16-28-44(40)57-32-35-19-7-3-8-20-35/h3-4,7-11,13,19-22,24-25,29,34,37,40,43-44H,1-2,5-6,12,14-18,23,26-28,30-32H2,(H,48,55)(H,49,53)(H,50,54)/t37?,40-,43-,44-/m0/s1
InChIKeyUMAALYFGYKZMPC-VFBUOOHCSA-N
XLogP8.85
TPSA123.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.00
LogP ≤ 58.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide with MolForge

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Related Compounds

1-[2-[[(1S,2S)-2-(benzylamino)cyclohexyl]amino]-2-oxoethyl]-5-[1-[(1R,2S)-2-phenylmethoxycyclohexyl]ethenylcarbamoyl]pyrazole-3-carboxylic acid
CID 143225217
1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid
CID 58646681
1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1S,2S)-2-phenylmethoxycyclohexyl]-3-N-(2H-tetrazol-5-yl)pyrazole-3,5-dicarboxamide
CID 11714424
5-N-[2-(cyclohexylmethoxy)-5-methylphenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2H-tetrazol-5-yl)pyrazole-3,5-dicarboxamide
CID 58646660
3-[(4-cyanoanilino)carbamoyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide
CID 58646690
3-N-(naphthalen-1-ylmethyl)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide
CID 11679300
1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(1S,2S)-2-phenylmethoxycyclohexyl]-3-N-(thiophen-2-ylmethyl)pyrazole-3,5-dicarboxamide
CID 11498481
1-[2-[2-(cyclopropylmethoxy)-5-methylanilino]-2-oxoethyl]-5-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid
CID 11505028
N-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide
CID 143225213
3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide
CID 72992949
tert-butyl N-[1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazol-3-yl]carbamate
CID 58646670
1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]-3-(trifluoromethylsulfonylamino)pyrazole-5-carboxamide
CID 11621743

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide (CID 143225421) is 5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide is C=C(NC(=O)c1cc(C(=O)Nc2ccccc2-c2ccccc2)nn1CC(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1)C1CCCC[C@@H]1OCC1CCCCC1.
What is the InChIKey of 5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide?
The InChIKey is UMAALYFGYKZMPC-VFBUOOHCSA-N. The full InChI is InChI=1S/C47H57N5O5/c1-33(37-23-12-15-27-43(37)56-31-34-17-5-2-6-18-34)48-47(55)42-29-41(46(54)50-39-25-13-11-24-38(39)36-21-9-4-10-22-36)51-52(42)30-45(53)49-40-26-14-16-28-44(40)57-32-35-19-7-3-8-20-35/h3-4,7-11,13,19-22,24-25,29,34,37,40,43-44H,1-2,5-6,12,14-18,23,26-28,30-32H2,(H,48,55)(H,49,53)(H,50,54)/t37?,40-,43-,44-/m0/s1.
What are the key properties of 5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide?
5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide has a molecular weight of 772.00 g/mol, XLogP of 8.85, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-[(2S)-2-(cyclohexylmethoxy)cyclohexyl]ethenyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-N-(2-phenylphenyl)pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 143225421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).