2-[(1,3-Dimethyl-1H-pyrazol-5-yl)carbamoyl]benzoic acid
[CAS# 691850-55-2]

Identification

• Name: 2-[(1,3-Dimethyl-1H-pyrazol-5-yl)carbamoyl]benzoic acid
• Synonyms: 2-((1,3-dimethyl-1H-pyrazol-5-yl)carbamoyl)benzoic acid; 2-[(1,3-dimethyl-1H-pyrazol-5-yl)carbamoyl]benzoic acid
• Molecular Formula: C₁₃H₁₃N₃O₃
• Molecular Weight: 259.26
• CAS Registry Number: 691850-55-2
• SMILES: O=C(Nc1cc(nn1C)C)c2ccccc2C(=O)O
• InChI: 1S/C13H13N3O3/c1-8-7-11(16(2)15-8)14-12(17)9-5-3-4-6-10(9)13(18)19/h3-7H,1-2H3,(H,14,17)(H,18,19)
• InChIKey: RVFJBMYEYFPCTH-UHFFFAOYSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 393.413°C at 760 mmHg (Cal.)
• Flash point: 191.729°C (Cal.)
• Refractive index: 1.632 (Cal.)