CAS 949034-45-1

3-Acetyl-1H-pyrazole-5-carboxylic acid

Description:

3-Acetyl-1H-pyrazole-5-carboxylic acid is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features an acetyl group and a carboxylic acid functional group, contributing to its reactivity and potential applications in various chemical reactions. The presence of the carboxylic acid group allows for hydrogen bonding and increases the compound's solubility in polar solvents. Its molecular structure suggests potential uses in pharmaceuticals, agrochemicals, and as a building block in organic synthesis. The compound may exhibit biological activity, making it of interest in medicinal chemistry. Additionally, its unique structural features may allow for the development of derivatives with enhanced properties. As with many pyrazole derivatives, it may also participate in coordination chemistry, forming complexes with metal ions. Overall, 3-Acetyl-1H-pyrazole-5-carboxylic acid is a versatile compound with significant potential in various fields of research and application.

Formula: C₆H₆N₂O₃

InChI: InChI=1S/C6H6N2O3/c1-3(9)4-2-5(6(10)11)8-7-4/h2H,1H3,(H,7,8)(H,10,11)

InChI key: InChIKey=HFBWRCZRDIVAMQ-UHFFFAOYSA-N

SMILES: C(C)(=O)C1=CC(C(O)=O)=NN1

Synonyms:

• 1H-pyrazole-3-carboxylic acid, 5-acetyl-
• 1H-pyrazole-5-carboxylic acid, 3-acetyl-
• 3-Acetyl-1H-pyrazole-5-carboxylic acid
• 5-Acetyl-1H-pyrazole-3-carboxylic acid