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

(4R)-4-(2-Fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one

  • Molecular FormulaC22H22FN3O3
  • Average mass395.427 Da
  • Monoisotopic mass395.164520 Da
  • ChemSpider ID62286230

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4-(2-Fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [ACD/IUPAC Name]
(4R)-4-(2-Fluorophényl)-3-(2-hydroxy-4,6-diméthylphényl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [French] [ACD/IUPAC Name]
(4R)-4-(2-Fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one [ACD/IUPAC Name]
(4R)-4-(2-Fluorophényl)-3-(2-hydroxy-4,6-diméthylphényl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one [French] [ACD/IUPAC Name]
(4R)-4-(2-Fluorphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-on [German] [ACD/IUPAC Name]
(4R)-4-(2-Fluorphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-on [German] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazol-6(1H)-one, 4-(2-fluorophenyl)-4,5-dihydro-3-(2-hydroxy-4,6-dimethylphenyl)-5-(3-hydroxypropyl)-, (4R)- [ACD/Index Name]
Pyrrolo[3,4-c]pyrazol-6(2H)-one, 4-(2-fluorophenyl)-4,5-dihydro-3-(2-hydroxy-4,6-dimethylphenyl)-5-(3-hydroxypropyl)-, (4R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 615.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 326.3±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 106.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 111.63
ACD/KOC (pH 5.5): 1017.20
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.54
ACD/KOC (pH 7.4): 1007.21
Polar Surface Area: 89 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 293.9±3.0 cm3

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