CAS 1354703-82-4

Methyl 4-iodo-1-methyl-3-(1-methylethyl)-1H-pyrazole-5-carboxylate

Description:

Methyl 4-iodo-1-methyl-3-(1-methylethyl)-1H-pyrazole-5-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. The presence of the iodo substituent at the 4-position enhances its reactivity and potential applications in organic synthesis and medicinal chemistry. The methyl and isopropyl groups contribute to its hydrophobic characteristics, influencing its solubility and interaction with biological systems. As an ester, it features a carboxylate functional group, which can participate in various chemical reactions, including hydrolysis and transesterification. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure suggests potential applications in agrochemicals or as a building block in the synthesis of more complex molecules. Safety and handling precautions should be observed due to the presence of iodine, which can be hazardous. Overall, the unique structural features of this compound make it a subject of interest in both synthetic and applied chemistry.

Formula: C₉H₁₃IN₂O₂

InChI: InChI=1S/C9H13IN2O2/c1-5(2)7-6(10)8(9(13)14-4)12(3)11-7/h5H,1-4H3

InChI key: InChIKey=HTPNPNRWIBNBLM-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(I)C(C(C)C)=NN1C

Synonyms:

• Methyl 4-iodo-1-methyl-3-(1-methylethyl)-1H-pyrazole-5-carboxylate
• 1H-Pyrazole-5-carboxylic acid, 4-iodo-1-methyl-3-(1-methylethyl)-, methyl ester