CAS 1001499-96-2

Methyl 1-[(2-chloro-5-methylphenoxy)methyl]-1H-pyrazole-3-carboxylate

Description:

Methyl 1-[(2-chloro-5-methylphenoxy)methyl]-1H-pyrazole-3-carboxylate is a chemical compound characterized by its complex structure, which includes a pyrazole ring, a carboxylate group, and a chloro-substituted phenoxy moiety. This compound typically exhibits properties associated with both pyrazole derivatives and ester functionalities, such as moderate solubility in organic solvents and potential reactivity due to the presence of the carboxylate group. The chloro substituent can influence its biological activity and reactivity, making it of interest in various fields, including medicinal chemistry and agrochemicals. Its molecular structure suggests potential applications in herbicides or pharmaceuticals, where the pyrazole core is often linked to biological activity. Additionally, the presence of the methyl group may enhance lipophilicity, affecting its absorption and distribution in biological systems. As with many synthetic compounds, safety and handling precautions are essential, given the potential toxicity associated with halogenated compounds.

Formula: C₁₃H₁₃ClN₂O₃

InChI: InChI=1S/C13H13ClN2O3/c1-9-3-4-10(14)12(7-9)19-8-16-6-5-11(15-16)13(17)18-2/h3-7H,8H2,1-2H3

InChI key: InChIKey=NUQJNLXTHYKLSF-UHFFFAOYSA-N

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

Synonyms:

• 1H-Pyrazole-3-carboxylic acid, 1-[(2-chloro-5-methylphenoxy)methyl]-, methyl ester
• Methyl 1-[(2-chloro-5-methylphenoxy)methyl]-1H-pyrazole-3-carboxylate