CAS 749927-85-3

1-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethanone

Description:

1-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethanone, with the CAS number 749927-85-3, is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. The presence of the iodo substituent at the para position of the pyrazole ring significantly influences its reactivity and physical properties, such as increasing its molecular weight and altering its electronic characteristics. The two methyl groups at the 3 and 5 positions contribute to the compound's steric bulk and hydrophobicity. As an ethanone derivative, it features a carbonyl group (C=O) that is integral to its reactivity, particularly in nucleophilic addition reactions. This compound may exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its solubility, stability, and reactivity can vary based on the solvent and conditions, which are important considerations for its application in synthetic chemistry and potential therapeutic uses.

Formula: C₇H₉IN₂O

InChI: InChI=1S/C7H9IN2O/c1-4-7(8)5(2)10(9-4)6(3)11/h1-3H3

InChI key: InChIKey=CGFUBILWMLNFTH-UHFFFAOYSA-N

SMILES: C(C)(=O)N1C(C)=C(I)C(C)=N1

Synonyms:

• 1H-Pyrazole, 1-acetyl-4-iodo-3,5-dimethyl-
• Ethanone, 1-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)-
• 1-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethanone
• 1-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
• 1-(4-Iodo-3,5-dimethylpyrazol-1-yl)ethanone