ChemSpider 2D Image | 3-[4-(4-Chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-4(3H)-quinazolinone | C18H13ClN4O

3-[4-(4-Chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-4(3H)-quinazolinone

  • Molecular FormulaC18H13ClN4O
  • Average mass336.775 Da
  • Monoisotopic mass336.077789 Da
  • ChemSpider ID23075660

More details:

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

3-[4-(4-Chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-4(3H)-quinazolinone [ACD/IUPAC Name]
3-[4-(4-Chlorophényl)-3-méthyl-1H-pyrazol-5-yl]-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
3-[4-(4-Chlorphenyl)-3-methyl-1H-pyrazol-5-yl]-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 3-[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]- [ACD/Index Name]
[1,2,4]triazolo[1,5-c]quinazoline-5-thiol, 2-(2-pyrimidinylamino)-
1160226-85-6 [RN]
2-(pyrimidin-2-ylamino)[1,2,4]triazolo[1,5-c]quinazoline-5-thiol
3-[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]quinazolin-4(3H)-one
3-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]quinazolin-4-one
3-[4-(4-Chloro-phenyl)-5-methyl-2H-pyrazol-3-yl]-3H-quinazolin-4-one

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 588.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.9±3.0 kJ/mol
    Flash Point: 309.9±32.9 °C
    Index of Refraction: 1.713
    Molar Refractivity: 93.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.42
    ACD/LogD (pH 5.5): 3.58
    ACD/BCF (pH 5.5): 311.69
    ACD/KOC (pH 5.5): 2121.10
    ACD/LogD (pH 7.4): 3.58
    ACD/BCF (pH 7.4): 311.82
    ACD/KOC (pH 7.4): 2122.00
    Polar Surface Area: 61 Å2
    Polarizability: 37.1±0.5 10-24cm3
    Surface Tension: 55.0±7.0 dyne/cm
    Molar Volume: 238.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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