ChemSpider 2D Image | 1-(4-Fluorobenzyl)-5-(4-methyl-2-pyrimidinyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole | C17H16FN5

1-(4-Fluorobenzyl)-5-(4-methyl-2-pyrimidinyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole

  • Molecular FormulaC17H16FN5
  • Average mass309.341 Da
  • Monoisotopic mass309.138977 Da
  • ChemSpider ID29662388

More details:

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

1-(4-Fluorbenzyl)-5-(4-methyl-2-pyrimidinyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol [German] [ACD/IUPAC Name]
1-(4-Fluorobenzyl)-5-(4-methyl-2-pyrimidinyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole [ACD/IUPAC Name]
1-(4-Fluorobenzyl)-5-(4-méthyl-2-pyrimidinyl)-1,4,5,6-tétrahydropyrrolo[3,4-c]pyrazole [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazole, 1-[(4-fluorophenyl)methyl]-1,4,5,6-tetrahydro-5-(4-methyl-2-pyrimidinyl)- [ACD/Index Name]
1-(4-fluorobenzyl)-5-(4-methylpyrimidin-2-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.4±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 87.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.08
ACD/KOC (pH 5.5): 1214.57
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.36
ACD/KOC (pH 7.4): 1258.77
Polar Surface Area: 47 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 230.0±7.0 cm3

Click to predict properties on the Chemicalize site


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