ChemSpider 2D Image | 5-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one | C31H33N3O5

5-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one

  • Molecular FormulaC31H33N3O5
  • Average mass527.611 Da
  • Monoisotopic mass527.242004 Da
  • ChemSpider ID11984648

More details:

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

5-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-on [German] [ACD/IUPAC Name]
5-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [ACD/IUPAC Name]
5-[2-(3,4-Diméthoxyphényl)éthyl]-4-(4-éthoxyphényl)-3-(2-hydroxy-3,5-diméthylphényl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazol-6(1H)-one, 5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-4,5-dihydro-3-(2-hydroxy-3,5-dimethylphenyl)- [ACD/Index Name]
5-(3,4-dimethoxyphenethyl)-4-(4-ethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-3-pyrrolino[3,4-d]pyrazol-6-one
5-[2-(3,4-Dimethoxy-phenyl)-ethyl]-4-(4-ethoxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-4,5-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
880791-98-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 720.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 389.6±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 149.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1517.86
ACD/KOC (pH 5.5): 6586.87
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1477.24
ACD/KOC (pH 7.4): 6410.62
Polar Surface Area: 97 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 424.9±3.0 cm3

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