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

C40H48N6O5 — CID 143225439

IUPACN-methyl-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-(phenylcarbamoylamino)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide
SMILESCN(C(=O)c1cc(NC(=O)Nc2ccccc2)nn1CC(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1)[C@H]1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C40H48N6O5/c1-45(33-22-12-14-24-36(33)51-28-30-17-7-3-8-18-30)39(48)34-25-37(43-40(49)41-31-19-9-4-10-20-31)44-46(34)26-38(47)42-32-21-11-13-23-35(32)50-27-29-15-5-2-6-16-29/h2-10,15-20,25,32-33,35-36H,11-14,21-24,26-28H2,1H3,(H,42,47)(H2,41,43,44,49)/t32-,33-,35-,36-/m0/s1
InChIKeyRTVPZJDDDZXHTA-IZVAWUQISA-N
MW692.86 g/mol
LogP6.77
Rot. Bonds13

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

N-methyl-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-(phenylcarbamoylamino)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide (PubChem CID 143225439) has the molecular formula C40H48N6O5 and a molecular weight of 692.86 g/mol. Its IUPAC name is N-methyl-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-(phenylcarbamoylamino)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-(phenylcarbamoylamino)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide
PubChem CID143225439
Molecular FormulaC40H48N6O5
Molecular Weight692.86 g/mol
Exact Mass692.37
IUPAC NameN-methyl-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-(phenylcarbamoylamino)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide
SMILESCN(C(=O)c1cc(NC(=O)Nc2ccccc2)nn1CC(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1)[C@H]1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C40H48N6O5/c1-45(33-22-12-14-24-36(33)51-28-30-17-7-3-8-18-30)39(48)34-25-37(43-40(49)41-31-19-9-4-10-20-31)44-46(34)26-38(47)42-32-21-11-13-23-35(32)50-27-29-15-5-2-6-16-29/h2-10,15-20,25,32-33,35-36H,11-14,21-24,26-28H2,1H3,(H,42,47)(H2,41,43,44,49)/t32-,33-,35-,36-/m0/s1
InChIKeyRTVPZJDDDZXHTA-IZVAWUQISA-N
XLogP6.77
TPSA126.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.86
LogP ≤ 56.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
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
tert-butyl N-[1-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-5-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazol-3-yl]carbamate
CID 163898134
3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide
CID 72992949
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]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]-3-(trifluoromethylsulfonylamino)pyrazole-5-carboxamide
CID 11621743
3-[(2-fluorophenyl)sulfonylamino]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide
CID 11607293
1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid
CID 68920267
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
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
3-[(4-cyanoanilino)carbamoyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide
CID 58646690

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-(phenylcarbamoylamino)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide?
The IUPAC name of N-methyl-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-(phenylcarbamoylamino)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide (CID 143225439) is N-methyl-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-(phenylcarbamoylamino)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-(phenylcarbamoylamino)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-(phenylcarbamoylamino)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide is CN(C(=O)c1cc(NC(=O)Nc2ccccc2)nn1CC(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1)[C@H]1CCCC[C@@H]1OCc1ccccc1.
What is the InChIKey of N-methyl-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-(phenylcarbamoylamino)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide?
The InChIKey is RTVPZJDDDZXHTA-IZVAWUQISA-N. The full InChI is InChI=1S/C40H48N6O5/c1-45(33-22-12-14-24-36(33)51-28-30-17-7-3-8-18-30)39(48)34-25-37(43-40(49)41-31-19-9-4-10-20-31)44-46(34)26-38(47)42-32-21-11-13-23-35(32)50-27-29-15-5-2-6-16-29/h2-10,15-20,25,32-33,35-36H,11-14,21-24,26-28H2,1H3,(H,42,47)(H2,41,43,44,49)/t32-,33-,35-,36-/m0/s1.
What are the key properties of N-methyl-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-(phenylcarbamoylamino)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide?
N-methyl-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-(phenylcarbamoylamino)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide has a molecular weight of 692.86 g/mol, XLogP of 6.77, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-3-(phenylcarbamoylamino)-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide is sourced from PubChem (CID 143225439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).