CAS 333311-70-9

1-[(2-Chlorophenyl)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole

Description:

1-[(2-Chlorophenyl)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole, identified by its CAS number 333311-70-9, is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a 2-chlorobenzyl group attached to one nitrogen of the pyrazole, contributing to its lipophilicity and potential biological activity. The presence of two methyl groups at the 3 and 5 positions of the pyrazole ring enhances its steric properties, while the nitro group at the 4 position introduces significant electron-withdrawing characteristics, influencing its reactivity and interaction with biological targets. This compound may exhibit various pharmacological properties, making it of interest in medicinal chemistry. Its structural features suggest potential applications in agrochemicals or pharmaceuticals, particularly in the development of compounds with specific biological activities. As with many pyrazole derivatives, the compound's solubility, stability, and reactivity can vary based on environmental conditions and the presence of other functional groups.

Formula: C₁₂H₁₂ClN₃O₂

InChI: InChI=1S/C12H12ClN3O2/c1-8-12(16(17)18)9(2)15(14-8)7-10-5-3-4-6-11(10)13/h3-6H,7H2,1-2H3

InChI key: InChIKey=PORFQNNWFDJHRV-UHFFFAOYSA-N

SMILES: C(N1C(C)=C(N(=O)=O)C(C)=N1)C2=C(Cl)C=CC=C2

Synonyms:

• 1-[(2-Chlorophenyl)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole
• 1H-Pyrazole, 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-nitro-