5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

C13H13N3O4 — CID 25248036

IUPAC5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCc1ccc(O)c(NC(=O)c2c(C(=O)O)cnn2C)c1
InChIInChI=1S/C13H13N3O4/c1-7-3-4-10(17)9(5-7)15-12(18)11-8(13(19)20)6-14-16(11)2/h3-6,17H,1-2H3,(H,15,18)(H,19,20)
InChIKeyUAVWGAZUWCEHRD-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.38
Rot. Bonds3

About 5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 25248036) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID25248036
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCc1ccc(O)c(NC(=O)c2c(C(=O)O)cnn2C)c1
InChIInChI=1S/C13H13N3O4/c1-7-3-4-10(17)9(5-7)15-12(18)11-8(13(19)20)6-14-16(11)2/h3-6,17H,1-2H3,(H,15,18)(H,19,20)
InChIKeyUAVWGAZUWCEHRD-UHFFFAOYSA-N
XLogP1.38
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-N,5-N-bis(2,5-dimethylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096951
5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494189
4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096938
3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264647
N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476120
5-[[(1R)-1-(2,4-dimethylphenyl)ethyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 51853873
N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 82706059
5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 110484171
5-[(3,5-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095721
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
1-methyl-5-[(4-methyl-3-nitrophenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 29095731
1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid
CID 29097233

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 25248036) is 5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is Cc1ccc(O)c(NC(=O)c2c(C(=O)O)cnn2C)c1.
What is the InChIKey of 5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is UAVWGAZUWCEHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-7-3-4-10(17)9(5-7)15-12(18)11-8(13(19)20)6-14-16(11)2/h3-6,17H,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 25248036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).