CAS 1001500-61-3

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

Description:

Methyl 1-[(2-methylphenoxy)methyl]-1H-pyrazole-3-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features a methyl ester functional group, contributing to its reactivity and solubility in organic solvents. The presence of the 2-methylphenoxy group indicates that it has an aromatic character, which can influence its biological activity and interactions. Typically, compounds of this nature may exhibit properties such as herbicidal or fungicidal activity, making them of interest in agricultural chemistry. The molecular structure suggests potential for hydrogen bonding and other intermolecular interactions, which can affect its physical properties, such as melting point and boiling point. Additionally, the compound's stability, solubility, and reactivity can be influenced by the substituents on the pyrazole ring and the aromatic group. Overall, Methyl 1-[(2-methylphenoxy)methyl]-1H-pyrazole-3-carboxylate is a complex organic molecule with potential applications in various fields, including pharmaceuticals and agrochemicals.

Formula: C₁₃H₁₄N₂O₃

InChI: InChI=1S/C13H14N2O3/c1-10-5-3-4-6-12(10)18-9-15-8-7-11(14-15)13(16)17-2/h3-8H,9H2,1-2H3

InChI key: InChIKey=YCCLPSZXSNEFNI-UHFFFAOYSA-N

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

Synonyms:

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