CAS 1354704-21-4

1-(4-Iodo-1-methyl-1H-pyrazol-5-yl)ethanone

Description:

1-(4-Iodo-1-methyl-1H-pyrazol-5-yl)ethanone 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 enhances its reactivity and can influence its biological activity. The ethanone functional group indicates that the compound contains a carbonyl group (C=O) adjacent to an ethyl group, contributing to its overall chemical properties. This compound is typically used in organic synthesis and may serve as an intermediate in the preparation of more complex molecules. Its unique structure allows for potential applications in pharmaceuticals and agrochemicals, where the pyrazole moiety is often associated with various biological activities. Additionally, the presence of iodine can impart specific properties such as increased lipophilicity and potential for halogen bonding, which may be advantageous in drug design. As with many halogenated compounds, care should be taken regarding its handling and environmental impact.

Formula: C₆H₇IN₂O

InChI: InChI=1S/C6H7IN2O/c1-4(10)6-5(7)3-8-9(6)2/h3H,1-2H3

InChI key: InChIKey=WXXZSDRDAYEGFN-UHFFFAOYSA-N

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

Synonyms:

• 1-(4-Iodo-1-methyl-1H-pyrazol-5-yl)ethanone
• Ethanone, 1-(4-iodo-1-methyl-1H-pyrazol-5-yl)-