N-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide

C24H30N4O5 — CID 143225213

IUPACN-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide
SMILESO=Cc1cc(C(=O)NOCC2CC2)nn1CC(=O)NC1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C24H30N4O5/c29-14-19-12-21(24(31)27-33-16-18-10-11-18)26-28(19)13-23(30)25-20-8-4-5-9-22(20)32-15-17-6-2-1-3-7-17/h1-3,6-7,12,14,18,20,22H,4-5,8-11,13,15-16H2,(H,25,30)(H,27,31)/t20?,22-/m0/s1
InChIKeySHPJVSCTGMZSCE-IAXKEJLGSA-N
MW454.53 g/mol
LogP2.41
Rot. Bonds11

About N-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide

N-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide (PubChem CID 143225213) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide
PubChem CID143225213
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC NameN-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide
SMILESO=Cc1cc(C(=O)NOCC2CC2)nn1CC(=O)NC1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C24H30N4O5/c29-14-19-12-21(24(31)27-33-16-18-10-11-18)26-28(19)13-23(30)25-20-8-4-5-9-22(20)32-15-17-6-2-1-3-7-17/h1-3,6-7,12,14,18,20,22H,4-5,8-11,13,15-16H2,(H,25,30)(H,27,31)/t20?,22-/m0/s1
InChIKeySHPJVSCTGMZSCE-IAXKEJLGSA-N
XLogP2.41
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
3-[(4-cyanoanilino)carbamoyl]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide
CID 58646690
5-acetyl-N-ethyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide;methyl formate;propane;prop-1-ene
CID 143225375
3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide
CID 72992949
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
5-[(3-carboxyphenyl)methoxy]-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]pyrazole-3-carboxylic acid
CID 21062936
1-[2-[2-(cyclopropylmethoxy)-5-methylanilino]-2-oxoethyl]-5-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid
CID 11505028
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
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
1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-(2H-tetrazol-5-yl)pyrazole-5-carboxylic acid
CID 68920267

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide (CID 143225213) is N-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide is O=Cc1cc(C(=O)NOCC2CC2)nn1CC(=O)NC1CCCC[C@@H]1OCc1ccccc1.
What is the InChIKey of N-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide?
The InChIKey is SHPJVSCTGMZSCE-IAXKEJLGSA-N. The full InChI is InChI=1S/C24H30N4O5/c29-14-19-12-21(24(31)27-33-16-18-10-11-18)26-28(19)13-23(30)25-20-8-4-5-9-22(20)32-15-17-6-2-1-3-7-17/h1-3,6-7,12,14,18,20,22H,4-5,8-11,13,15-16H2,(H,25,30)(H,27,31)/t20?,22-/m0/s1.
What are the key properties of N-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide?
N-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 2.41, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethoxy)-5-formyl-1-[2-oxo-2-[[(2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 143225213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).