ChemSpider 2D Image | 4-(4-Fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one | C22H22FN3O3

4-(4-Fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one

  • Molecular FormulaC22H22FN3O3
  • Average mass395.427 Da
  • Monoisotopic mass395.164520 Da
  • ChemSpider ID21606350

More details:

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

4-(4-Fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [ACD/IUPAC Name]
4-(4-Fluorophényl)-3-(2-hydroxy-5-méthylphényl)-5-(3-méthoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [French] [ACD/IUPAC Name]
4-(4-Fluorphenyl)-3-(2-hydroxy-5-methylphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-on [German] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazol-6(1H)-one, 4-(4-fluorophenyl)-4,5-dihydro-3-(2-hydroxy-5-methylphenyl)-5-(3-methoxypropyl)- [ACD/Index Name]
4-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-(3-methoxypropyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
4-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-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: 599.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 316.2±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 106.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.90
ACD/KOC (pH 5.5): 871.01
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.05
ACD/KOC (pH 7.4): 823.98
Polar Surface Area: 78 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 303.0±3.0 cm3

Click to predict properties on the Chemicalize site


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