CAS 952958-77-9

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

Description:

4-(2-Aminoethyl)-5-cyclopropyl-1,2-dihydro-2-phenyl-3H-pyrazol-3-one, with the CAS number 952958-77-9, is a chemical compound characterized by its pyrazolone structure, which features a five-membered ring containing two nitrogen atoms. This compound exhibits a range of functional groups, including an aminoethyl side chain and a cyclopropyl group, contributing to its potential biological activity. The presence of the phenyl group enhances its lipophilicity, which may influence its interaction with biological targets. Typically, compounds of this nature are investigated for their pharmacological properties, including anti-inflammatory or analgesic effects, due to the presence of the pyrazolone moiety. The molecular structure suggests potential for hydrogen bonding and other intermolecular interactions, which can affect solubility and reactivity. As with many organic compounds, its stability, reactivity, and biological activity can be influenced by environmental factors such as pH and temperature. Further studies would be necessary to fully elucidate its properties and potential applications in medicinal chemistry.

Formula: C₁₄H₁₇N₃O

InChI: InChI=1S/C14H17N3O/c15-9-8-12-13(10-6-7-10)16-17(14(12)18)11-4-2-1-3-5-11/h1-5,10,16H,6-9,15H2

InChI key: InChIKey=JGLRUDADYMQXGE-UHFFFAOYSA-N

SMILES: C(CN)C1=C(NN(C1=O)C2=CC=CC=C2)C3CC3

Synonyms:

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