3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide

C48H55N5O5 — CID 143225342

IUPAC3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide
SMILESCN(C(=O)c1cc(C(=O)NCC(c2ccccc2)c2ccccc2)nn1CC(=O)NC1CCCC[C@@H]1OCc1ccccc1)C1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C48H55N5O5/c1-52(42-27-15-17-29-45(42)58-34-36-20-8-3-9-21-36)48(56)43-30-41(47(55)49-31-39(37-22-10-4-11-23-37)38-24-12-5-13-25-38)51-53(43)32-46(54)50-40-26-14-16-28-44(40)57-33-35-18-6-2-7-19-35/h2-13,18-25,30,39-40,42,44-45H,14-17,26-29,31-34H2,1H3,(H,49,55)(H,50,54)/t40?,42?,44-,45-/m0/s1
InChIKeyPXRRGEGRWPMXMV-QGYJMSBOSA-N
MW782.00 g/mol
LogP7.69
Rot. Bonds16

About 3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide

3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide (PubChem CID 143225342) has the molecular formula C48H55N5O5 and a molecular weight of 782.00 g/mol. Its IUPAC name is 3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide
PubChem CID143225342
Molecular FormulaC48H55N5O5
Molecular Weight782.00 g/mol
Exact Mass781.42
IUPAC Name3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide
SMILESCN(C(=O)c1cc(C(=O)NCC(c2ccccc2)c2ccccc2)nn1CC(=O)NC1CCCC[C@@H]1OCc1ccccc1)C1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C48H55N5O5/c1-52(42-27-15-17-29-45(42)58-34-36-20-8-3-9-21-36)48(56)43-30-41(47(55)49-31-39(37-22-10-4-11-23-37)38-24-12-5-13-25-38)51-53(43)32-46(54)50-40-26-14-16-28-44(40)57-33-35-18-6-2-7-19-35/h2-13,18-25,30,39-40,42,44-45H,14-17,26-29,31-34H2,1H3,(H,49,55)(H,50,54)/t40?,42?,44-,45-/m0/s1
InChIKeyPXRRGEGRWPMXMV-QGYJMSBOSA-N
XLogP7.69
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.00
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide with MolForge

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Related Compounds

1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide
CID 71087734
1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide
CID 71087834
1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide
CID 71088004
3-(4-isocyanophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
CID 118704714
1-ethyl-3-(4-isocyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
CID 118704715
(2S)-(3-(1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamido)phenyl)(phenyl)methyl 2-amino-3-methylbutanoate
CID 118355992
N3-benzyl-N5-[(1S,2S)-2-benzyloxycyclohexyl]-1-[2-[[(1S,2S)-2-benzyloxycyclohexyl]amino]-2-oxo-ethyl]pyrazole-3,5-dicarboxamide
CID 11498461
N5-[(1S,2S)-2-benzyloxycyclohexyl]-1-[2-[[(1S,2S)-2-benzyloxycyclohexyl]amino]-2-oxo-ethyl]-N3-(2-thienylmethyl)pyrazole-3,5-dicarboxamide
CID 11498481
1H-Pyrazole-1-acetamide, N-[(1S,2S)-2-(phenylmethoxy)cyclohexyl]-5-[[[(1S,2S)-2-(phenylmethoxy)cyclohexyl]amino]carbonyl]-3-[[(phenylmethyl)sulfonyl]amino]-
CID 11498579
N5-[(1S,2S)-2-benzyloxycyclohexyl]-1-[2-[[(1S,2S)-2-benzyloxycyclohexyl]amino]-2-oxo-ethyl]-N3-cyano-pyrazole-3,5-dicarboxamide
CID 11512816
1H-Pyrazole-3,5-dicarboxamide, N3-(1-methyl-1-phenylethyl)-1-[2-oxo-2-[[(1S,2S)-2-(phenylmethoxy)cyclohexyl]amino]ethyl]-N5-[(1S,2S)-2-(phenylmethoxy)cyclohexyl]-
CID 11513207
1H-Pyrazole-1-acetamide, N-[(1S,2S)-2-(phenylmethoxy)cyclohexyl]-5-[[[(1S,2S)-2-(phenylmethoxy)cyclohexyl]amino]carbonyl]-3-[(phenylsulfonyl)amino]-
CID 11520436

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide (CID 143225342) is 3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide is CN(C(=O)c1cc(C(=O)NCC(c2ccccc2)c2ccccc2)nn1CC(=O)NC1CCCC[C@@H]1OCc1ccccc1)C1CCCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide?
The InChIKey is PXRRGEGRWPMXMV-QGYJMSBOSA-N. The full InChI is InChI=1S/C48H55N5O5/c1-52(42-27-15-17-29-45(42)58-34-36-20-8-3-9-21-36)48(56)43-30-41(47(55)49-31-39(37-22-10-4-11-23-37)38-24-12-5-13-25-38)51-53(43)32-46(54)50-40-26-14-16-28-44(40)57-33-35-18-6-2-7-19-35/h2-13,18-25,30,39-40,42,44-45H,14-17,26-29,31-34H2,1H3,(H,49,55)(H,50,54)/t40?,42?,44-,45-/m0/s1.
What are the key properties of 3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide?
3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide has a molecular weight of 782.00 g/mol, XLogP of 7.69, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2-diphenylethyl)-5-N-methyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-N-[(2S)-2-phenylmethoxycyclohexyl]pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 143225342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).