ChemSpider 2D Image | 3-[(3s,5s,7s)-Adamantan-1-yl]-1-phenyl-1H-pyrazole-4-carbaldehyde | C20H22N2O

3-[(3s,5s,7s)-Adamantan-1-yl]-1-phenyl-1H-pyrazole-4-carbaldehyde

  • Molecular FormulaC20H22N2O
  • Average mass306.401 Da
  • Monoisotopic mass306.173218 Da
  • ChemSpider ID110449670

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1H-Pyrazole-4-carboxaldehyde, 1-phenyl-3-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
3-[(3s,5s,7s)-Adamantan-1-yl]-1-phenyl-1H-pyrazol-4-carbaldehyd [German] [ACD/IUPAC Name]
3-[(3s,5s,7s)-Adamantan-1-yl]-1-phenyl-1H-pyrazole-4-carbaldehyde [ACD/IUPAC Name]
3-[(3s,5s,7s)-Adamantan-1-yl]-1-phényl-1H-pyrazole-4-carbaldéhyde [French] [ACD/IUPAC 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: 471.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 239.2±25.4 °C
Index of Refraction: 1.715
Molar Refractivity: 90.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2255.61
ACD/KOC (pH 5.5): 8747.07
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2255.61
ACD/KOC (pH 7.4): 8747.07
Polar Surface Area: 35 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 230.1±7.0 cm3

Click to predict properties on the Chemicalize site


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