CAS 878208-77-6

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

Description:

4-(2-Aminoethyl)-5-(1,1-dimethylethyl)-1,2-dihydro-3H-pyrazol-3-one, with the CAS number 878208-77-6, 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 moderate solubility in polar solvents due to the presence of amino and carbonyl functional groups, which can engage in hydrogen bonding. The presence of the bulky tert-butyl group contributes to its steric hindrance, potentially influencing its reactivity and interactions with other molecules. It may exhibit biological activity, making it of interest in pharmaceutical research, particularly in the development of new therapeutic agents. The aminoethyl side chain can enhance its ability to interact with biological targets, potentially affecting its pharmacokinetics and pharmacodynamics. Overall, this compound's unique structural features and functional groups suggest a range of potential applications in medicinal chemistry and related fields.

Formula: C₉H₁₇N₃O

InChI: InChI=1S/C9H17N3O/c1-9(2,3)7-6(4-5-10)8(13)12-11-7/h4-5,10H2,1-3H3,(H2,11,12,13)

InChI key: InChIKey=DBPGMSYKGUQMMM-UHFFFAOYSA-N

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

Synonyms:

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