4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid

C13H13N3O4 — CID 19623911

IUPAC4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
SMILESCOc1cccc(NC(=O)c2cnn(C)c2C(=O)O)c1
InChIInChI=1S/C13H13N3O4/c1-16-11(13(18)19)10(7-14-16)12(17)15-8-4-3-5-9(6-8)20-2/h3-7H,1-2H3,(H,15,17)(H,18,19)
InChIKeyGAAVSSXFQHIWFX-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.38
Rot. Bonds4

About 4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid

4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid (PubChem CID 19623911) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
PubChem CID19623911
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
SMILESCOc1cccc(NC(=O)c2cnn(C)c2C(=O)O)c1
InChIInChI=1S/C13H13N3O4/c1-16-11(13(18)19)10(7-14-16)12(17)15-8-4-3-5-9(6-8)20-2/h3-7H,1-2H3,(H,15,17)(H,18,19)
InChIKeyGAAVSSXFQHIWFX-UHFFFAOYSA-N
XLogP1.38
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid 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

4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496247
N-(3-methoxyphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 2809038
5-[(3,5-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095721
5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 44823916
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
3-chloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 66462058
1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 36704733
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 115410984
3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866755
2-benzyl-N-(3-methoxyphenyl)benzamide
CID 26914636

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid (CID 19623911) is 4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid is COc1cccc(NC(=O)c2cnn(C)c2C(=O)O)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is GAAVSSXFQHIWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-16-11(13(18)19)10(7-14-16)12(17)15-8-4-3-5-9(6-8)20-2/h3-7H,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid?
4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 19623911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).