1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide

C25H22N4O3 — CID 16925719

IUPAC1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)cc1
InChIInChI=1S/C25H22N4O3/c26-23(30)20-11-13-21(14-12-20)27-24(31)22-16-29(15-18-7-3-1-4-8-18)28-25(22)32-17-19-9-5-2-6-10-19/h1-14,16H,15,17H2,(H2,26,30)(H,27,31)
InChIKeyPRBJDAWXPUZAQO-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.86
Rot. Bonds8

About 1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide

1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide (PubChem CID 16925719) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
PubChem CID16925719
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)cc1
InChIInChI=1S/C25H22N4O3/c26-23(30)20-11-13-21(14-12-20)27-24(31)22-16-29(15-18-7-3-1-4-8-18)28-25(22)32-17-19-9-5-2-6-10-19/h1-14,16H,15,17H2,(H2,26,30)(H,27,31)
InChIKeyPRBJDAWXPUZAQO-UHFFFAOYSA-N
XLogP3.86
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(4-ethylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925653
1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925655
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925775
N-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925894
N-(4-carbamoylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382871
1-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide
CID 16925628
1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide
CID 16925716
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 40925650
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 30997182
N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925798

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide (CID 16925719) is 1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide is NC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide?
The InChIKey is PRBJDAWXPUZAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c26-23(30)20-11-13-21(14-12-20)27-24(31)22-16-29(15-18-7-3-1-4-8-18)28-25(22)32-17-19-9-5-2-6-10-19/h1-14,16H,15,17H2,(H2,26,30)(H,27,31).
What are the key properties of 1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide?
1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide is sourced from PubChem (CID 16925719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).