ChemSpider 2D Image | (2E)-3-[(4-Fluorophenyl)amino]-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-buten-1-one | C20H18FN3O2

(2E)-3-[(4-Fluorophenyl)amino]-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-buten-1-one

  • Molecular FormulaC20H18FN3O2
  • Average mass351.374 Da
  • Monoisotopic mass351.138306 Da
  • ChemSpider ID30657509

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[(4-Fluorophenyl)amino]-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-buten-1-one [ACD/IUPAC Name]
(2E)-3-[(4-Fluorophényl)amino]-1-(5-hydroxy-3-méthyl-1-phényl-1H-pyrazol-4-yl)-2-butén-1-one [French] [ACD/IUPAC Name]
(2E)-3-[(4-Fluorphenyl)amino]-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-buten-1-on [German] [ACD/IUPAC Name]
2-Buten-1-one, 3-[(4-fluorophenyl)amino]-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 528.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 273.2±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 98.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1315.40
ACD/KOC (pH 5.5): 5727.42
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 124.08
ACD/KOC (pH 7.4): 540.25
Polar Surface Area: 67 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 284.9±7.0 cm3

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