CAS 1354706-71-0

Methyl 4-iodo-1-(2-methylpropyl)-1H-pyrazole-3-carboxylate

Description:

Methyl 4-iodo-1-(2-methylpropyl)-1H-pyrazole-3-carboxylate is a chemical compound characterized by its unique pyrazole structure, which includes a carboxylate functional group and an iodine substituent at the 4-position. This compound features a methyl group and a branched alkyl chain (2-methylpropyl) attached to the nitrogen of the pyrazole ring, contributing to its hydrophobic properties. The presence of the iodine atom enhances its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. The methyl ester group indicates that it can undergo hydrolysis to yield the corresponding carboxylic acid. This compound may exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its molecular structure suggests potential applications in agrochemicals or pharmaceuticals, where the pyrazole moiety is often associated with diverse biological activities. As with any chemical substance, proper handling and safety measures should be observed due to potential toxicity or reactivity associated with its functional groups.

Formula: C₉H₁₃IN₂O₂

InChI: InChI=1S/C9H13IN2O2/c1-6(2)4-12-5-7(10)8(11-12)9(13)14-3/h5-6H,4H2,1-3H3

InChI key: InChIKey=NJZQCTHUGAWOOY-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C(I)=CN(CC(C)C)N1

Synonyms:

• Methyl 4-iodo-1-(2-methylpropyl)-1H-pyrazole-3-carboxylate
• 1H-Pyrazole-3-carboxylic acid, 4-iodo-1-(2-methylpropyl)-, methyl ester