CAS 1001500-90-8

Methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate

Description:

Methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a methyl ester functional group, contributing to its solubility and reactivity. The presence of a 4-chlorophenoxy group enhances its biological activity and may influence its interaction with various biological targets. Typically, compounds of this nature are studied for their potential applications in agrochemicals, pharmaceuticals, or as intermediates in organic synthesis. The chlorophenoxy moiety can impart herbicidal properties, while the pyrazole structure is often associated with diverse pharmacological activities. In terms of physical properties, such compounds may exhibit moderate to high polarity, affecting their solubility in organic solvents and water. Safety and handling precautions are essential, as with many synthetic organic compounds, due to potential toxicity or environmental impact. Overall, this compound represents a class of chemicals with significant interest in both research and practical applications.

Formula: C₁₂H₁₁ClN₂O₃

InChI: InChI=1S/C12H11ClN2O3/c1-17-12(16)11-6-7-14-15(11)8-18-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3

InChI key: InChIKey=PQFSDEKQNMWRDL-UHFFFAOYSA-N

SMILES: C(OC1=CC=C(Cl)C=C1)N2C(C(OC)=O)=CC=N2

Synonyms:

• 1H-Pyrazole-5-carboxylic acid, 1-[(4-chlorophenoxy)methyl]-, methyl ester
• Methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate