CAS 869901-13-3

3-(Chloromethyl)-1-methyl-5-phenyl-1H-pyrazole

Description:

3-(Chloromethyl)-1-methyl-5-phenyl-1H-pyrazole is an organic compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This substance features a chloromethyl group, which enhances its reactivity and potential for further chemical modifications. The presence of a methyl group and a phenyl group contributes to its hydrophobic characteristics and influences its solubility in organic solvents. The compound is typically used in various chemical syntheses and may have applications in pharmaceuticals or agrochemicals due to its structural properties. Its molecular structure allows for potential interactions with biological targets, making it of interest in medicinal chemistry. Safety data should be consulted for handling, as the chloromethyl group can be reactive and may pose health risks. Overall, this compound exemplifies the diverse chemistry of pyrazoles and their derivatives, which are known for their varied biological activities.

Formula: C₁₁H₁₁ClN₂

InChI: InChI=1S/C11H11ClN2/c1-14-11(7-10(8-12)13-14)9-5-3-2-4-6-9/h2-7H,8H2,1H3

InChI key: InChIKey=KAZKAWDJSYXNGK-UHFFFAOYSA-N

SMILES: CN1C(=CC(CCl)=N1)C2=CC=CC=C2

Synonyms:

• 1H-Pyrazole, 3-(chloromethyl)-1-methyl-5-phenyl-
• 3-(Chloromethyl)-1-methyl-5-phenyl-1H-pyrazole