ChemSpider 2D Image | (2E)-1-(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-[(4-methylphenyl)amino]-2-buten-1-one | C21H21N3O2

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

  • Molecular FormulaC21H21N3O2
  • Average mass347.410 Da
  • Monoisotopic mass347.163391 Da
  • ChemSpider ID30657510

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-[(4-methylphenyl)amino]-2-buten-1-on [German] [ACD/IUPAC Name]
(2E)-1-(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-[(4-methylphenyl)amino]-2-buten-1-one [ACD/IUPAC Name]
(2E)-1-(5-Hydroxy-3-méthyl-1-phényl-1H-pyrazol-4-yl)-3-[(4-méthylphényl)amino]-2-butén-1-one [French] [ACD/IUPAC Name]
2-Buten-1-one, 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-[(4-methylphenyl)amino]-, (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: 539.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 280.3±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 102.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1186.49
ACD/KOC (pH 5.5): 5325.29
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 114.58
ACD/KOC (pH 7.4): 514.28
Polar Surface Area: 67 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 297.2±7.0 cm3

Click to predict properties on the Chemicalize site


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