ChemSpider 2D Image | 5-Methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-4(1H)-pyridazinone | C21H15F3N4O2

5-Methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-4(1H)-pyridazinone

  • Molecular FormulaC21H15F3N4O2
  • Average mass412.365 Da
  • Monoisotopic mass412.114716 Da
  • ChemSpider ID35035200

More details:

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

4(1H)-Pyridazinone, 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
5-Methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluormethyl)phenyl]-4(1H)-pyridazinon [German] [ACD/IUPAC Name]
5-Methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-4(1H)-pyridazinone [ACD/IUPAC Name]
5-Méthoxy-3-(1-phényl-1H-pyrazol-5-yl)-1-[3-(trifluorométhyl)phényl]-4(1H)-pyridazinone [French] [ACD/IUPAC Name]
5-Methoxy-3-(1-Phenyl-1h-Pyrazol-5-Yl)-1-[3-(Trifluoromethyl)phenyl]pyridazin-4(1h)-One
3KB

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

Density: 1.4±0.1 g/cm3
Boiling Point: 536.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.5±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 105.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 295.21
ACD/KOC (pH 5.5): 2040.43
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 295.21
ACD/KOC (pH 7.4): 2040.43
Polar Surface Area: 60 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 304.4±7.0 cm3

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