CAS 1011404-54-8

2-(1H-Pyrazol-1-yl)-4-(1H-tetrazol-1-yl)benzoic acid

Description:

2-(1H-Pyrazol-1-yl)-4-(1H-tetrazol-1-yl)benzoic acid is a heterocyclic organic compound characterized by the presence of both pyrazole and tetrazole functional groups attached to a benzoic acid moiety. This compound typically exhibits properties such as moderate solubility in polar solvents due to its carboxylic acid group, which can participate in hydrogen bonding. The presence of the pyrazole and tetrazole rings contributes to its potential biological activity, making it of interest in medicinal chemistry, particularly for its possible applications in pharmaceuticals. The compound may also display acidic properties due to the carboxylic acid functional group, which can dissociate in solution. Additionally, its structural complexity may lead to interesting interactions with biological targets, influencing its pharmacokinetic and pharmacodynamic profiles. Overall, this compound represents a unique combination of heterocycles that may offer diverse chemical reactivity and potential therapeutic applications.

Formula: C₁₁H₈N₆O₂

InChI: InChI=1S/C11H8N6O2/c18-11(19)9-3-2-8(17-7-12-14-15-17)6-10(9)16-5-1-4-13-16/h1-7H,(H,18,19)

InChI key: InChIKey=BJDCXMBODPAJPA-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(C=C(C=C1)N2C=NN=N2)N3C=CC=N3

Synonyms:

• Benzoic acid, 2-(1H-pyrazol-1-yl)-4-(1H-tetrazol-1-yl)-
• 2-(1H-Pyrazol-1-yl)-4-(1H-tetraazol-1-yl)benzoic acid
• 2-Pyrazol-1-yl-4-tetrazol-1-yl-benzoic acid
• 2-(1H-Pyrazol-1-yl)-4-(1H-tetrazol-1-yl)benzoic acid