CAS 952959-53-4

4-(2-Aminoethyl)-5-ethyl-1,2-dihydro-2-phenyl-3H-pyrazol-3-one

Description:

4-(2-Aminoethyl)-5-ethyl-1,2-dihydro-2-phenyl-3H-pyrazol-3-one, with the CAS number 952959-53-4, is a chemical compound characterized by its pyrazolone structure, which features a five-membered ring containing two nitrogen atoms. This compound typically exhibits properties associated with pyrazolones, such as potential biological activity, including anti-inflammatory and analgesic effects. The presence of an aminoethyl group suggests that it may participate in various chemical reactions, including those involving amine functionalities. The ethyl and phenyl substituents contribute to its hydrophobic characteristics, which can influence its solubility and interaction with biological membranes. Additionally, the compound may exhibit tautomerism due to the keto-enol equilibrium, which is common in pyrazolone derivatives. Its unique structure and functional groups make it a candidate for further research in medicinal chemistry and drug development, particularly in exploring its pharmacological properties and potential therapeutic applications.

Formula: C₁₃H₁₇N₃O

InChI: InChI=1S/C13H17N3O/c1-2-12-11(8-9-14)13(17)16(15-12)10-6-4-3-5-7-10/h3-7,15H,2,8-9,14H2,1H3

InChI key: InChIKey=WDSJCEOLTRYVMH-UHFFFAOYSA-N

SMILES: O=C1N(NC(CC)=C1CCN)C2=CC=CC=C2

Synonyms:

• 3H-Pyrazol-3-one, 4-(2-aminoethyl)-5-ethyl-1,2-dihydro-2-phenyl-
• 4-(2-Aminoethyl)-5-ethyl-1,2-dihydro-2-phenyl-3H-pyrazol-3-one