CAS 7188-97-8

Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate

Description:

Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate, with the CAS number 7188-97-8, is an organic compound characterized by its pyrazole structure, which features a five-membered ring containing two nitrogen atoms. This compound typically exhibits a white to off-white crystalline appearance and is soluble in organic solvents such as ethanol and acetone, but has limited solubility in water. Its molecular structure includes a methyl group and a phenyl group, contributing to its unique chemical properties and potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the carboxylate functional group suggests it may participate in various chemical reactions, such as esterification or nucleophilic substitutions. Additionally, compounds of this type may exhibit biological activity, making them of interest for further research in medicinal chemistry. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken.

Formula: C₁₂H₁₂N₂O₂

InChI: InChI=1S/C12H12N2O2/c1-9-8-11(12(15)16-2)13-14(9)10-6-4-3-5-7-10/h3-8H,1-2H3

InChI key: InChIKey=UXTASIYEIXYNJZ-UHFFFAOYSA-N

SMILES: CC=1N(N=C(C(OC)=O)C1)C2=CC=CC=C2

Synonyms:

• 1H-Pyrazole-3-carboxylic acid, 5-methyl-1-phenyl-, methyl ester
• Pyrazole-3-carboxylic acid, 5-methyl-1-phenyl-, methyl ester
• Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate