ChemSpider 2D Image | [5-(4-Bromophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl](3-pyridinyl)methanone | C21H16BrN3O2

[5-(4-Bromophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl](3-pyridinyl)methanone

  • Molecular FormulaC21H16BrN3O2
  • Average mass422.275 Da
  • Monoisotopic mass421.042572 Da
  • ChemSpider ID76737996

More details:

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

[5-(4-Bromophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl](3-pyridinyl)methanone [ACD/IUPAC Name]
[5-(4-Bromophényl)-3-(4-hydroxyphényl)-4,5-dihydro-1H-pyrazol-1-yl](3-pyridinyl)méthanone [French] [ACD/IUPAC Name]
[5-(4-Bromphenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl](3-pyridinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [5-(4-bromophenyl)-4,5-dihydro-3-(4-hydroxyphenyl)-1H-pyrazol-1-yl]-3-pyridinyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 590.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 310.6±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 108.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.12
ACD/KOC (pH 5.5): 1479.64
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.35
ACD/KOC (pH 7.4): 1481.37
Polar Surface Area: 66 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 283.8±7.0 cm3

Click to predict properties on the Chemicalize site


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