CAS 123374-29-8

1H-Pyrazole-4-carboxylic acid, 1-ethyl-3-methyl-, methyl ester

Description:

1H-Pyrazole-4-carboxylic acid, 1-ethyl-3-methyl-, methyl ester, identified by CAS number 123374-29-8, is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features a carboxylic acid functional group that is esterified with a methyl group, indicating that it is a methyl ester. The presence of ethyl and methyl substituents on the pyrazole ring contributes to its unique chemical properties, potentially influencing its solubility, reactivity, and biological activity. Generally, compounds of this type may exhibit various applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. The specific characteristics, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the overall structure, which can be further explored through experimental data or computational chemistry methods. As with many pyrazole derivatives, this compound may also possess interesting biological activities, making it a subject of interest in medicinal chemistry.

Formula: C₈H₁₂N₂O₂

InChI: InChI=1S/C8H12N2O2/c1-4-10-5-7(6(2)9-10)8(11)12-3/h5H,4H2,1-3H3

InChI key: InChIKey=VNSGGDXXYZQRKM-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C(C)=NN(CC)C1

Synonyms:

• 1H-Pyrazole-4-carboxylic acid, 1-ethyl-3-methyl-, methyl ester
• Methyl 1-ethyl-3-methyl-1H-pyrazole-4-carboxylate