CAS 1001500-21-5

Methyl 1-[(3-chloro-4-fluorophenoxy)methyl]-1H-pyrazole-3-carboxylate

Description:

Methyl 1-[(3-chloro-4-fluorophenoxy)methyl]-1H-pyrazole-3-carboxylate is a chemical compound characterized by its complex structure, which includes a pyrazole ring, a carboxylate functional group, and a phenoxy moiety substituted with chlorine and fluorine atoms. This compound typically exhibits properties such as moderate solubility in organic solvents and potential bioactivity, making it of interest in pharmaceutical and agrochemical research. The presence of halogen substituents can influence its reactivity and interaction with biological targets, potentially enhancing its efficacy as a therapeutic agent or pesticide. Additionally, the methyl ester group contributes to its overall stability and may affect its metabolic pathways. As with many pyrazole derivatives, this compound may exhibit a range of biological activities, including anti-inflammatory or antifungal properties, depending on its specific interactions at the molecular level. Safety and handling precautions should be observed due to the presence of halogenated components, which may pose environmental and health risks.

Formula: C₁₂H₁₀ClFN₂O₃

InChI: InChI=1S/C12H10ClFN2O3/c1-18-12(17)11-4-5-16(15-11)7-19-8-2-3-10(14)9(13)6-8/h2-6H,7H2,1H3

InChI key: InChIKey=NTHKHPNOOHAWEM-UHFFFAOYSA-N

SMILES: C(OC1=CC(Cl)=C(F)C=C1)N2N=C(C(OC)=O)C=C2

Synonyms:

• Methyl 1-[(3-chloro-4-fluorophenoxy)methyl]-1H-pyrazole-3-carboxylate
• 1H-Pyrazole-3-carboxylic acid, 1-[(3-chloro-4-fluorophenoxy)methyl]-, methyl ester