CAS 1354705-53-5

1-Butyl-4-iodo-3-methyl-1H-pyrazole

Description:

1-Butyl-4-iodo-3-methyl-1H-pyrazole is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. The presence of a butyl group and an iodine atom at specific positions on the pyrazole ring contributes to its unique chemical properties. This compound is likely to exhibit moderate to high lipophilicity due to the butyl group, which can influence its solubility in organic solvents. The iodine substituent may impart interesting reactivity, making it a potential candidate for various chemical transformations, including nucleophilic substitutions. Additionally, the methyl group at the 3-position can affect the electronic properties of the molecule, potentially influencing its reactivity and interactions with biological targets. As a pyrazole derivative, it may also exhibit biological activity, making it of interest in medicinal chemistry. Overall, 1-butyl-4-iodo-3-methyl-1H-pyrazole is a compound with diverse potential applications in research and industry, particularly in the fields of pharmaceuticals and agrochemicals.

Formula: C₈H₁₃IN₂

InChI: InChI=1S/C8H13IN2/c1-3-4-5-11-6-8(9)7(2)10-11/h6H,3-5H2,1-2H3

InChI key: InChIKey=YEYLURRMWJZGFK-UHFFFAOYSA-N

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

Synonyms:

• 1-Butyl-4-iodo-3-methyl-1H-pyrazole
• 1H-Pyrazole, 1-butyl-4-iodo-3-methyl-