ChemSpider 2D Image | 4-[3-Hydroxy-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C30H27N3O5

4-[3-Hydroxy-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC30H27N3O5
  • Average mass509.552 Da
  • Monoisotopic mass509.195068 Da
  • ChemSpider ID20216678

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3H-Pyrazol-3-one, 4-[2,5-dihydro-3-hydroxy-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-2-oxo-1H-pyrrol-1-yl]-1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-[3-Hydroxy-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-[3-Hydroxy-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-[3-Hydroxy-5-(4-méthoxyphényl)-4-(4-méthylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
4-[3-Hydroxy-5-(4-methoxy-phenyl)-4-(4-methyl-benzoyl)-2-oxo-2,5-dihydro-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one
4-[4-HYDROXY-2-(4-METHOXYPHENYL)-3-(4-METHYLBENZOYL)-5-OXO-2H-PYRROL-1-YL]-1,5-DIMETHYL-2-PHENYLPYRAZOL-3-ONE
4-{3-hydroxy-5-(4-methoxyphenyl)-4-[(4-methylphenyl)carbonyl]-2-oxo(3-pyrrolinyl)}-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
4-{3-hydroxy-5-(4-methoxyphenyl)-4-[(4-methylphenyl)carbonyl]-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 692.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.9±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 141.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 15.29
ACD/KOC (pH 5.5): 124.14
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.14
Polar Surface Area: 90 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 378.5±3.0 cm3

Click to predict properties on the Chemicalize site


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