CAS 1354703-83-5

Methyl 4-iodo-1-propyl-1H-pyrazole-5-carboxylate

Description:

Methyl 4-iodo-1-propyl-1H-pyrazole-5-carboxylate is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic ring containing two 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 propyl group attached to the nitrogen enhances its hydrophobic properties, while the methyl ester functional group at the carboxylate position provides a site for further chemical modifications. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure suggests potential interactions with biological targets, which could be explored for therapeutic applications. Additionally, the compound's stability, solubility, and reactivity can be influenced by the presence of the iodine substituent and the ester group, making it a versatile building block in synthetic organic chemistry. As with many halogenated compounds, safety and handling precautions are essential due to the potential toxicity associated with iodine-containing substances.

Formula: C₈H₁₁IN₂O₂

InChI: InChI=1S/C8H11IN2O2/c1-3-4-11-7(8(12)13-2)6(9)5-10-11/h5H,3-4H2,1-2H3

InChI key: InChIKey=WSASMGBICAPWGB-UHFFFAOYSA-N

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

Synonyms:

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