CAS 1004643-55-3

1-[(2-Chloro-4-fluorophenyl)methyl]-5-methyl-3-nitro-1H-pyrazole

Description:

1-[(2-Chloro-4-fluorophenyl)methyl]-5-methyl-3-nitro-1H-pyrazole is a chemical compound characterized by its unique molecular structure, which includes a pyrazole ring substituted with a nitro group and a methyl group, as well as a phenyl group that is further substituted with chlorine and fluorine atoms. This compound typically exhibits properties associated with both pyrazole derivatives and halogenated aromatic compounds, such as potential biological activity and reactivity due to the presence of the nitro group. The chlorine and fluorine substituents can influence the compound's lipophilicity, stability, and interaction with biological targets. It may be of interest in pharmaceutical research, particularly in the development of agrochemicals or medicinal compounds, due to its potential efficacy against specific biological pathways. The presence of multiple functional groups suggests that it may participate in various chemical reactions, making it a versatile compound in synthetic organic chemistry. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or environmental impact.

Formula: C₁₁H₉ClFN₃O₂

InChI: InChI=1S/C11H9ClFN3O2/c1-7-4-11(16(17)18)14-15(7)6-8-2-3-9(13)5-10(8)12/h2-5H,6H2,1H3

InChI key: InChIKey=PIYDKJYCNSFOKG-UHFFFAOYSA-N

SMILES: C(N1N=C(N(=O)=O)C=C1C)C2=C(Cl)C=C(F)C=C2

Synonyms:

• 1-[(2-Chloro-4-fluorophenyl)methyl]-5-methyl-3-nitro-1H-pyrazole
• 1H-Pyrazole, 1-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-3-nitro-