ChemSpider 2D Image | [2-(2-Methyl-2-propanyl)-3-(1H-pyrrol-1-yl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl][3-(1H-tetrazol-1-yl)phenyl]methanone | C21H22N8O

[2-(2-Methyl-2-propanyl)-3-(1H-pyrrol-1-yl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl][3-(1H-tetrazol-1-yl)phenyl]methanone

  • Molecular FormulaC21H22N8O
  • Average mass402.452 Da
  • Monoisotopic mass402.191650 Da
  • ChemSpider ID26303393

More details:

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

[2-(2-Methyl-2-propanyl)-3-(1H-pyrrol-1-yl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl][3-(1H-tetrazol-1-yl)phenyl]methanon [German] [ACD/IUPAC Name]
[2-(2-Methyl-2-propanyl)-3-(1H-pyrrol-1-yl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl][3-(1H-tetrazol-1-yl)phenyl]methanone [ACD/IUPAC Name]
[2-(2-Méthyl-2-propanyl)-3-(1H-pyrrol-1-yl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl][3-(1H-tétrazol-1-yl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [2-(1,1-dimethylethyl)-2,6-dihydro-3-(1H-pyrrol-1-yl)pyrrolo[3,4-c]pyrazol-5(4H)-yl][3-(1H-tetrazol-1-yl)phenyl]- [ACD/Index Name]
(3-(1H-tetrazol-1-yl)phenyl)(2-(tert-butyl)-3-(1H-pyrrol-1-yl)pyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)methanone
1-{3-[2-tert-butyl-3-(1H-pyrrol-1-yl)-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl}-1H-1,2,3,4-tetrazole
1251550-93-2 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 657.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.5±34.3 °C
Index of Refraction: 1.728
Molar Refractivity: 115.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.54
ACD/KOC (pH 5.5): 161.61
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.54
ACD/KOC (pH 7.4): 161.61
Polar Surface Area: 87 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 289.9±7.0 cm3

Click to predict properties on the Chemicalize site


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