CAS 92945-28-3

1H-Pyrazole-3-carboxylic acid, 5-(2-methylpropyl)-, ethyl ester

Description:

1H-Pyrazole-3-carboxylic acid, 5-(2-methylpropyl)-, ethyl ester, identified by its CAS number 92945-28-3, 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 and an ethyl ester moiety, contributing to its reactivity and solubility properties. The presence of the 2-methylpropyl substituent at the 5-position of the pyrazole ring enhances its hydrophobic characteristics, potentially influencing its biological activity and interaction with other molecules. Typically, such compounds may exhibit various pharmacological properties, making them of interest in medicinal chemistry. The ester functional group suggests that it may undergo hydrolysis to release the corresponding carboxylic acid and alcohol, which is a common reaction pathway for esters. Overall, the unique combination of functional groups in this compound may lead to diverse applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis.

Formula: C₁₀H₁₆N₂O₂

InChI: InChI=1S/C10H16N2O2/c1-4-14-10(13)9-6-8(11-12-9)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12)

InChI key: InChIKey=AFSADCYNSHGALW-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C=C(CC(C)C)NN1

Synonyms:

• 1H-Pyrazole-3-carboxylic acid, 5-(2-methylpropyl)-, ethyl ester
• Ethyl 5-isobutyl-1H-pyrazole-3-carboxylate
• Ethyl 5-(2-methylpropyl)-1H-pyrazole-3-carboxylate