CAS 958133-25-0

Methyl 1-[(2-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylate

Description:

Methyl 1-[(2-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylate, identified by its CAS number 958133-25-0, 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 2-chlorophenoxy group indicates that it has a phenolic structure substituted with chlorine, which can influence its biological activity and interaction with other molecules. Typically, compounds of this nature may exhibit properties relevant to agricultural chemistry, particularly as herbicides or fungicides, due to their ability to interact with specific biological pathways in plants. The molecular structure suggests potential for various applications in medicinal chemistry as well, given the diverse biological activities associated with pyrazole derivatives. As with many chemical substances, safety and handling precautions are essential, and its environmental impact should be assessed in any practical application.

Formula: C₁₂H₁₁ClN₂O₃

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

InChI key: InChIKey=WUPSGPVLANYZDM-UHFFFAOYSA-N

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

Synonyms:

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