1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide

C27H25N5O3 — CID 55484396

IUPAC1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C27H25N5O3/c1-35-23-13-7-20(8-14-23)25-24(18-31(30-25)17-19-5-3-2-4-6-19)26(33)29-21-9-11-22(12-10-21)32-16-15-28-27(32)34/h2-14,18H,15-17H2,1H3,(H,28,34)(H,29,33)
InChIKeyJNNQNVBDPYQPJZ-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.39
Rot. Bonds7

About 1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide

1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 55484396) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide
PubChem CID55484396
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C27H25N5O3/c1-35-23-13-7-20(8-14-23)25-24(18-31(30-25)17-19-5-3-2-4-6-19)26(33)29-21-9-11-22(12-10-21)32-16-15-28-27(32)34/h2-14,18H,15-17H2,1H3,(H,28,34)(H,29,33)
InChIKeyJNNQNVBDPYQPJZ-UHFFFAOYSA-N
XLogP4.39
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 30997182
N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 55532778
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 124882051
1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 17426569
1-benzyl-3-(4-methoxyphenyl)-N-(2-oxoazepan-3-yl)pyrazole-4-carboxamide
CID 55933489
1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119449675
1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide
CID 55961871
1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18225401
[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400241
1-benzyl-3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 32995513

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide (CID 55484396) is 1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide is COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1.
What is the InChIKey of 1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is JNNQNVBDPYQPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-35-23-13-7-20(8-14-23)25-24(18-31(30-25)17-19-5-3-2-4-6-19)26(33)29-21-9-11-22(12-10-21)32-16-15-28-27(32)34/h2-14,18H,15-17H2,1H3,(H,28,34)(H,29,33).
What are the key properties of 1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide?
1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55484396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).