CAS 116655-20-0

2,4-Dihydro-5-methyl-4-(1-oxotetradecyl)-2-phenyl-3H-pyrazol-3-one

Description:

2,4-Dihydro-5-methyl-4-(1-oxotetradecyl)-2-phenyl-3H-pyrazol-3-one, with the CAS number 116655-20-0, is a synthetic organic compound characterized by its pyrazolone structure, which features a five-membered ring containing two nitrogen atoms. This compound exhibits a range of chemical properties typical of pyrazolones, including potential reactivity due to the presence of the carbonyl group and the ability to form hydrogen bonds. The long tetradecyl chain contributes to its hydrophobic characteristics, which may influence its solubility in organic solvents and its behavior in biological systems. The presence of the phenyl group enhances its aromaticity, potentially affecting its stability and reactivity. This compound may have applications in pharmaceuticals or agrochemicals, given the structural motifs that are often associated with biological activity. However, specific biological activities, toxicity, and environmental impact would require further investigation through empirical studies. Overall, its unique structure suggests potential utility in various chemical and biological applications.

Formula: C₂₄H₃₆N₂O₂

InChI: InChI=1S/C24H36N2O2/c1-3-4-5-6-7-8-9-10-11-12-16-19-22(27)23-20(2)25-26(24(23)28)21-17-14-13-15-18-21/h13-15,17-18,23H,3-12,16,19H2,1-2H3

InChI key: InChIKey=TZIWTXKUDFFQOJ-UHFFFAOYSA-N

SMILES: O=C1N(N=C(C)C1C(CCCCCCCCCCCCC)=O)C2=CC=CC=C2

Synonyms:

• 2,4-Dihydro-5-methyl-4-(1-oxotetradecyl)-2-phenyl-3H-pyrazol-3-one
• 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxotetradecyl)-2-phenyl-

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxotetradecyl)-2-phenyl-

CAS: 116655-20-0

Formula: C₂₄H₃₆N₂O₂

Molecular weight: 384.5548

Ref: IN-DA000CXD