ChemSpider 2D Image | 1-(4-Chlorophenyl)-5-[1-(4-chlorophenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-(2-methyl-2-propanyl)-2,4,5,6-tetrahydro-1H-pyrazolo[3,4-d]pyrimidine | C28H32Cl2N6

1-(4-Chlorophenyl)-5-[1-(4-chlorophenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-(2-methyl-2-propanyl)-2,4,5,6-tetrahydro-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC28H32Cl2N6
  • Average mass523.500 Da
  • Monoisotopic mass522.206543 Da
  • ChemSpider ID9267738

More details:

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

1-(4-Chlorophenyl)-5-[1-(4-chlorophenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-(2-methyl-2-propanyl)-2,4,5,6-tetrahydro-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
1-(4-Chlorophényl)-5-[1-(4-chlorophényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]-3-(2-méthyl-2-propanyl)-2,4,5,6-tétrahydro-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
1-(4-Chlorphenyl)-5-[1-(4-chlorphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-(2-methyl-2-propanyl)-2,4,5,6-tetrahydro-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidine, 1-(4-chlorophenyl)-5-[1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-3-(1,1-dimethylethyl)-2,4,5,6-tetrahydro- [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: 646.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.8±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 149.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 426.07
ACD/KOC (pH 5.5): 716.61
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 426.36
ACD/KOC (pH 7.4): 717.10
Polar Surface Area: 49 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 410.8±7.0 cm3

Click to predict properties on the Chemicalize site


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