CAS 1354705-48-8

4-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonitrile

Description:

4-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonitrile is a heterocyclic organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. The presence of the iodo substituent introduces significant reactivity, particularly in nucleophilic substitution reactions. The trifluoromethyl group enhances the compound's lipophilicity and can influence its biological activity, making it of interest in medicinal chemistry. The carbonitrile functional group contributes to the compound's polarity and can participate in various chemical reactions, including nucleophilic addition and coordination with metal ions. This compound is typically used in research and development, particularly in the synthesis of pharmaceuticals and agrochemicals. Its unique combination of functional groups may impart specific properties, such as increased stability or altered solubility, which can be critical in applications ranging from drug design to material science. Overall, the compound's structural features suggest potential utility in various chemical and biological contexts.

Formula: C₆H₃F₃IN₃

InChI: InChI=1S/C6H3F3IN3/c1-13-3(2-11)4(10)5(12-13)6(7,8)9/h1H3

InChI key: InChIKey=IERYCFCLZHXMHH-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1C(I)=C(C#N)N(C)N1

Synonyms:

• 4-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonitrile
• 1H-Pyrazole-5-carbonitrile, 4-iodo-1-methyl-3-(trifluoromethyl)-