CAS 1354704-12-3

4-Iodo-3-methyl-1H-pyrazole-1-acetonitrile

Description:

4-Iodo-3-methyl-1H-pyrazole-1-acetonitrile is a heterocyclic organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. The presence of an iodine atom at the 4-position and a methyl group at the 3-position contributes to its unique reactivity and properties. The acetonitrile functional group attached at the 1-position enhances its potential for various chemical reactions, particularly in nucleophilic substitutions and coupling reactions. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its molecular structure suggests it may exhibit specific biological activities, although detailed studies would be necessary to elucidate its pharmacological properties. Additionally, the presence of halogen atoms often influences the compound's solubility, stability, and reactivity, making it a subject of interest in both synthetic and medicinal chemistry. Safety data should be consulted for handling and storage, as halogenated compounds can pose health risks.

Formula: C₆H₆IN₃

InChI: InChI=1S/C6H6IN3/c1-5-6(7)4-10(9-5)3-2-8/h4H,3H2,1H3

InChI key: InChIKey=AKHJHIQSUJBNQY-UHFFFAOYSA-N

SMILES: C(C#N)N1C=C(I)C(C)=N1

Synonyms:

• 4-Iodo-3-methyl-1H-pyrazole-1-acetonitrile
• 1H-Pyrazole-1-acetonitrile, 4-iodo-3-methyl-

(4-Iodo-3-methyl-pyrazol-1-yl)-acetonitrile

CAS: 1354704-12-3

Versatile small molecule scaffold

Formula: C₆H₆IN₃

Purity: Min. 95%

Molecular weight: 247.04 g/mol

Ref: 3D-EEC70412