ChemSpider 2D Image | 3,4-Dihydro-2(1H)-isoquinolinyl(2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone | C16H17N3O2

3,4-Dihydro-2(1H)-isoquinolinyl(2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone

  • Molecular FormulaC16H17N3O2
  • Average mass283.325 Da
  • Monoisotopic mass283.132080 Da
  • ChemSpider ID28435226

More details:

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

3,4-Dihydro-2(1H)-isochinolinyl(2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanon [German] [ACD/IUPAC Name]
3,4-Dihydro-2(1H)-isoquinoléinyl(2,4,6,7-tétrahydropyrano[4,3-c]pyrazol-3-yl)méthanone [French] [ACD/IUPAC Name]
3,4-Dihydro-2(1H)-isoquinolinyl(2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone [ACD/IUPAC Name]
Methanone, (3,4-dihydro-2(1H)-isoquinolinyl)(2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)- [ACD/Index Name]
(3,4-dihydroisoquinolin-2(1H)-yl)(2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 602.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.7±3.0 kJ/mol
    Flash Point: 318.4±31.5 °C
    Index of Refraction: 1.650
    Molar Refractivity: 77.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.06
    ACD/LogD (pH 5.5): 1.39
    ACD/BCF (pH 5.5): 6.74
    ACD/KOC (pH 5.5): 136.37
    ACD/LogD (pH 7.4): 1.39
    ACD/BCF (pH 7.4): 6.74
    ACD/KOC (pH 7.4): 136.37
    Polar Surface Area: 58 Å2
    Polarizability: 30.9±0.5 10-24cm3
    Surface Tension: 63.0±3.0 dyne/cm
    Molar Volume: 213.8±3.0 cm3

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