CAS 956950-99-5

5-Methyl-1-propyl-1H-pyrazole-3-carboxylic acid

Description:

5-Methyl-1-propyl-1H-pyrazole-3-carboxylic acid is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidic properties. The presence of a methyl group and a propyl group on the pyrazole ring influences its solubility and reactivity, making it potentially useful in various chemical applications. The molecular structure suggests that it may exhibit biological activity, which could be of interest in pharmaceutical research. Additionally, the compound's CAS number, 956950-99-5, allows for easy identification in chemical databases. Its synthesis typically involves multi-step organic reactions, and it may be analyzed using techniques such as NMR spectroscopy, mass spectrometry, and chromatography to confirm its purity and structural integrity. Overall, 5-Methyl-1-propyl-1H-pyrazole-3-carboxylic acid represents a unique compound with potential applications in medicinal chemistry and agrochemicals.

Formula: C₈H₁₂N₂O₂

InChI: InChI=1S/C8H12N2O2/c1-3-4-10-6(2)5-7(9-10)8(11)12/h5H,3-4H2,1-2H3,(H,11,12)

InChI key: InChIKey=HLTNVXVETKMVLM-UHFFFAOYSA-N

SMILES: C(CC)N1N=C(C(O)=O)C=C1C

Synonyms:

• 1H-Pyrazole-3-carboxylic acid, 5-methyl-1-propyl-
• 5-Methyl-1-propyl-1H-pyrazole-3-carboxylic acid