CAS 881041-01-6

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

Description:

4-(2-Aminoethyl)-1,2-dihydro-5-(phenylmethyl)-3H-pyrazol-3-one, with the CAS number 881041-01-6, is a chemical compound characterized by its pyrazolone structure, which features a five-membered ring containing two nitrogen atoms. This compound typically exhibits properties such as being a solid at room temperature, with potential solubility in polar solvents due to the presence of amino and carbonyl functional groups. The aminoethyl side chain may contribute to its reactivity and potential biological activity, making it of interest in medicinal chemistry. The phenylmethyl group enhances its lipophilicity, which can influence its pharmacokinetic properties. Additionally, the compound may exhibit various functional properties, including potential antioxidant or anti-inflammatory activities, depending on its specific interactions within biological systems. Its synthesis and characterization would involve standard organic chemistry techniques, and it may serve as a precursor or intermediate in the development of pharmaceuticals or agrochemicals. As with any chemical, safety data and handling precautions should be reviewed prior to use.

Formula: C₁₂H₁₅N₃O

InChI: InChI=1S/C12H15N3O/c13-7-6-10-11(14-15-12(10)16)8-9-4-2-1-3-5-9/h1-5H,6-8,13H2,(H2,14,15,16)

InChI key: InChIKey=XGYLGHSYYZGTEK-UHFFFAOYSA-N

SMILES: C(C1=C(CCN)C(=O)NN1)C2=CC=CC=C2

Synonyms:

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