2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid

C13H13N3O4 — CID 66127110

IUPAC2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid
SMILESCc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)n(C)n1
InChIInChI=1S/C13H13N3O4/c1-7-5-11(16(2)15-7)12(18)14-10-4-3-8(17)6-9(10)13(19)20/h3-6,17H,1-2H3,(H,14,18)(H,19,20)
InChIKeyOYHZHFKMJYDHLA-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.38
Rot. Bonds3

About 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid

2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid (PubChem CID 66127110) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid
PubChem CID66127110
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid
SMILESCc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)n(C)n1
InChIInChI=1S/C13H13N3O4/c1-7-5-11(16(2)15-7)12(18)14-10-4-3-8(17)6-9(10)13(19)20/h3-6,17H,1-2H3,(H,14,18)(H,19,20)
InChIKeyOYHZHFKMJYDHLA-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': 'anthranil_acid_F(2)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 66128596
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791549
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 62829376
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919
2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 66128180
5-bromo-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 66126977
5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818932
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61061508
5-amino-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121300
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
5-[(2,5-dimethylpyrazole-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 66127114

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid (CID 66127110) is 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid is Cc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)n(C)n1.
What is the InChIKey of 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid?
The InChIKey is OYHZHFKMJYDHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-7-5-11(16(2)15-7)12(18)14-10-4-3-8(17)6-9(10)13(19)20/h3-6,17H,1-2H3,(H,14,18)(H,19,20).
What are the key properties of 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid?
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-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 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 66127110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).