4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid

C12H12N4O3 — CID 55178289

IUPAC4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
SMILESCn1nccc1C(=O)Nc1cc(N)ccc1C(=O)O
InChIInChI=1S/C12H12N4O3/c1-16-10(4-5-14-16)11(17)15-9-6-7(13)2-3-8(9)12(18)19/h2-6H,13H2,1H3,(H,15,17)(H,18,19)
InChIKeyAKDWJCUKZLGOIS-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.95
Rot. Bonds3

About 4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid

4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid (PubChem CID 55178289) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
PubChem CID55178289
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
SMILESCn1nccc1C(=O)Nc1cc(N)ccc1C(=O)O
InChIInChI=1S/C12H12N4O3/c1-16-10(4-5-14-16)11(17)15-9-6-7(13)2-3-8(9)12(18)19/h2-6H,13H2,1H3,(H,15,17)(H,18,19)
InChIKeyAKDWJCUKZLGOIS-UHFFFAOYSA-N
XLogP0.95
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 110467173
2,4-difluoro-5-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 60829589
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 75484643
4-amino-2-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 63116138
5-amino-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 66128596
4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 63116302
2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 43664804
N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
CID 47083946
4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674554
4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 63116147
N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide
CID 62919603

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid (CID 55178289) is 4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid is Cn1nccc1C(=O)Nc1cc(N)ccc1C(=O)O.
What is the InChIKey of 4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid?
The InChIKey is AKDWJCUKZLGOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-16-10(4-5-14-16)11(17)15-9-6-7(13)2-3-8(9)12(18)19/h2-6H,13H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid?
4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid has a molecular weight of 260.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 55178289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).