3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid

C13H13N3O4 — CID 107264647

IUPAC3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid
SMILESCc1c(C(=O)Nc2cc(C(=O)O)ccc2O)cnn1C
InChIInChI=1S/C13H13N3O4/c1-7-9(6-14-16(7)2)12(18)15-10-5-8(13(19)20)3-4-11(10)17/h3-6,17H,1-2H3,(H,15,18)(H,19,20)
InChIKeyXPLFTSAUHZDWNQ-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.38
Rot. Bonds3

About 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid

3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid (PubChem CID 107264647) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid
PubChem CID107264647
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid
SMILESCc1c(C(=O)Nc2cc(C(=O)O)ccc2O)cnn1C
InChIInChI=1S/C13H13N3O4/c1-7-9(6-14-16(7)2)12(18)15-10-5-8(13(19)20)3-4-11(10)17/h3-6,17H,1-2H3,(H,15,18)(H,19,20)
InChIKeyXPLFTSAUHZDWNQ-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

5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 25248036
4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107670939
N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63935503
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 115410984
4-hydroxy-3-[(2-methylfuran-3-carbonyl)amino]benzoic acid
CID 107264605
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474180
N-(4-bromo-2-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28780531
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881165
N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 82706059
4-hydroxy-3-(pyrimidine-5-carbonylamino)benzoic acid
CID 107264598

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid?
The IUPAC name of 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid (CID 107264647) is 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid is Cc1c(C(=O)Nc2cc(C(=O)O)ccc2O)cnn1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid?
The InChIKey is XPLFTSAUHZDWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-7-9(6-14-16(7)2)12(18)15-10-5-8(13(19)20)3-4-11(10)17/h3-6,17H,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid?
3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic 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 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid is sourced from PubChem (CID 107264647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).