CAS 952959-51-2

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

Description:

4-(2-Aminoethyl)-1,2-dihydro-5-(1-methylethyl)-3H-pyrazol-3-one, with the CAS number 952959-51-2, 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 and the ability to form hydrogen bonds due to the presence of amino and carbonyl functional groups. The aminoethyl side chain may contribute to its solubility in polar solvents and enhance its reactivity. Additionally, the isopropyl group attached to the pyrazolone ring can influence its steric properties and overall stability. Such compounds are often investigated for their pharmacological properties, including anti-inflammatory and analgesic effects. The presence of both hydrophilic and hydrophobic regions in its structure suggests that it may interact with various biological targets, making it of interest in medicinal chemistry and drug development. However, specific applications and biological activities would require further empirical studies to elucidate its potential uses.

Formula: C₈H₁₅N₃O

InChI: InChI=1S/C8H15N3O/c1-5(2)7-6(3-4-9)8(12)11-10-7/h5H,3-4,9H2,1-2H3,(H2,10,11,12)

InChI key: InChIKey=YWXPTHQMNOUPBY-UHFFFAOYSA-N

SMILES: C(CN)C1=C(C(C)C)NNC1=O

Synonyms:

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