CAS 1185294-94-3

Benzoic acid, 3-(1H-pyrazol-1-yl)-, hydrochloride (1:1)

Description:

Benzoic acid, 3-(1H-pyrazol-1-yl)-, hydrochloride (1:1) is a chemical compound characterized by its combination of a benzoic acid moiety and a pyrazole ring, which contributes to its unique properties. The presence of the hydrochloride indicates that it is a salt formed with hydrochloric acid, enhancing its solubility in water compared to its free base form. This compound typically exhibits acidic properties due to the carboxylic acid group, which can donate protons in solution. The pyrazole ring may impart additional biological activity, making it of interest in pharmaceutical applications. Its molecular structure suggests potential interactions with biological targets, which could be explored in drug development. The compound is likely to be stable under standard conditions, but specific handling and storage recommendations should be followed to maintain its integrity. As with many organic compounds, it is essential to consider safety data, including potential hazards and toxicity, when working with this substance in a laboratory setting.

Formula: C₁₀H₈N₂O₂·ClH

InChI: InChI=1S/C10H8N2O2.ClH/c13-10(14)8-3-1-4-9(7-8)12-6-2-5-11-12;/h1-7H,(H,13,14);1H

InChI key: InChIKey=ZKDTWQNRQYXIGU-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C=C(C=CC1)N2C=CC=N2.Cl

Synonyms:

• Benzoic acid, 3-(1H-pyrazol-1-yl)-, hydrochloride (1:1)