ChemSpider 2D Image | Benzyl 5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate | C18H16N2O3

Benzyl 5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate

  • Molecular FormulaC18H16N2O3
  • Average mass308.331 Da
  • Monoisotopic mass308.116089 Da
  • ChemSpider ID28474027

More details:

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

1H-Pyrazole-4-carboxylic acid, 2,5-dihydro-3-methyl-5-oxo-1-phenyl-, phenylmethyl ester [ACD/Index Name]
5-Méthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazole-4-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Benzyl-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
[913376-49-5] [RN]
913376-49-5 [RN]
BENZYL 3-METHYL-5-OXO-1-PHENYL-2H-PYRAZOLE-4-CARBOXYLATE
benzyl 5-methyl-3-oxo-2-phenyl-2.3-dihydro-1H-pyrazole-4
BENZYL-5-METHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOLE-4-CARBOXYLATE
MFCD22493496

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

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 447.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.6±3.0 kJ/mol
    Flash Point: 224.5±31.5 °C
    Index of Refraction: 1.614
    Molar Refractivity: 85.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.79
    ACD/LogD (pH 5.5): 2.35
    ACD/BCF (pH 5.5): 35.70
    ACD/KOC (pH 5.5): 449.78
    ACD/LogD (pH 7.4): 2.35
    ACD/BCF (pH 7.4): 35.70
    ACD/KOC (pH 7.4): 449.78
    Polar Surface Area: 59 Å2
    Polarizability: 33.7±0.5 10-24cm3
    Surface Tension: 51.5±3.0 dyne/cm
    Molar Volume: 244.1±3.0 cm3

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