ChemSpider 2D Image | (2E)-1-(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-[(4-methoxyphenyl)amino]-2-buten-1-one | C21H21N3O3

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

  • Molecular FormulaC21H21N3O3
  • Average mass363.410 Da
  • Monoisotopic mass363.158295 Da
  • ChemSpider ID30656935

  • 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-methoxyphenyl)amino]-2-buten-1-on [German] [ACD/IUPAC Name]
(2E)-1-(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-[(4-methoxyphenyl)amino]-2-buten-1-one [ACD/IUPAC Name]
(2E)-1-(5-Hydroxy-3-méthyl-1-phényl-1H-pyrazol-4-yl)-3-[(4-méthoxyphényl)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-methoxyphenyl)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: 559.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 292.2±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 104.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 740.26
ACD/KOC (pH 5.5): 3797.88
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 70.93
ACD/KOC (pH 7.4): 363.91
Polar Surface Area: 76 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 303.7±7.0 cm3

Click to predict properties on the Chemicalize site


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