CAS 885319-49-3

1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester

Description:

1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester 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 at the 3-position and an ethyl ester group, indicating that it is an ester derivative of the corresponding carboxylic acid. The presence of the ethyl group at the 5-position contributes to its hydrophobic characteristics, potentially influencing its solubility and reactivity. This compound may exhibit biological activity, making it of interest in pharmaceutical and agrochemical research. Its molecular structure allows for various chemical reactions, including hydrolysis and esterification, which can be utilized in synthetic applications. Additionally, the compound's stability and reactivity can be affected by factors such as pH and temperature. Overall, 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester is a versatile compound with potential applications in various fields, including medicinal chemistry and material science.

Formula: C₈H₁₂N₂O₂

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

InChI key: InChIKey=YFONSBZEAHNVCW-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C=C(CC)NN1

Synonyms:

• Ethyl 5-ethyl-1H-pyrazole-3-carboxylate
• 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester
• Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester
• 5-Ethyl-1H-pyrazole-3-carboxylic acid ethyl ester