CAS 1354705-21-7

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

Description:

Methyl 4-iodo-1-(1-methylethyl)-1H-pyrazole-5-carboxylate is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic ring containing two adjacent nitrogen atoms. The presence of the iodine atom at the 4-position of the pyrazole ring contributes to its reactivity and potential applications in organic synthesis and medicinal chemistry. The methyl ester functional group at the 5-position enhances its solubility in organic solvents and may influence its biological activity. Additionally, the isopropyl group at the 1-position provides steric hindrance, which can affect the compound's interactions with biological targets. This compound may exhibit interesting pharmacological properties, making it a candidate for further research in drug development. Its molecular structure suggests potential applications in agrochemicals or as a building block in the synthesis of more complex molecules. As with many halogenated compounds, it is important to consider its environmental impact and stability under various conditions.

Formula: C₈H₁₁IN₂O₂

InChI: InChI=1S/C8H11IN2O2/c1-5(2)11-7(8(12)13-3)6(9)4-10-11/h4-5H,1-3H3

InChI key: InChIKey=IWOHCNRCXXRFKJ-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1N(C(C)C)N=CC1I

Synonyms:

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