CAS 860611-87-6

1,2-Dihydro-4-(2-hydroxyethyl)-5-methyl-1-(4-nitrobenzoyl)-3H-pyrazol-3-one

Description:

1,2-Dihydro-4-(2-hydroxyethyl)-5-methyl-1-(4-nitrobenzoyl)-3H-pyrazol-3-one, with the CAS number 860611-87-6, is a chemical compound characterized by its pyrazolone structure, which is a five-membered ring containing two nitrogen atoms. This compound features a hydroxyl group and an ethyl group, contributing to its solubility and reactivity. The presence of a nitrobenzoyl moiety enhances its potential for various applications, particularly in medicinal chemistry, where it may exhibit biological activity. The compound's molecular structure suggests it could participate in hydrogen bonding due to the hydroxyl group, influencing its physical properties such as melting point and solubility in polar solvents. Additionally, the methyl group may affect its steric hindrance and overall reactivity. As with many pyrazolone derivatives, it may also exhibit potential as a dye or in analytical chemistry applications. However, specific details regarding its stability, reactivity, and biological properties would require further investigation through experimental studies.

Formula: C₁₃H₁₃N₃O₅

InChI: InChI=1S/C13H13N3O5/c1-8-11(6-7-17)12(18)14-15(8)13(19)9-2-4-10(5-3-9)16(20)21/h2-5,17H,6-7H2,1H3,(H,14,18)

InChI key: InChIKey=NLHGCQFWICPVCN-UHFFFAOYSA-N

SMILES: C(=O)(N1C(C)=C(CCO)C(=O)N1)C2=CC=C(N(=O)=O)C=C2

Synonyms:

• 3H-Pyrazol-3-one, 1,2-dihydro-4-(2-hydroxyethyl)-5-methyl-1-(4-nitrobenzoyl)-
• 1,2-Dihydro-4-(2-hydroxyethyl)-5-methyl-1-(4-nitrobenzoyl)-3H-pyrazol-3-one