ChemSpider 2D Image | [5-(3,4-Dimethoxyphenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl](3-pyridinyl)methanone | C23H21N3O4

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

  • Molecular FormulaC23H21N3O4
  • Average mass403.431 Da
  • Monoisotopic mass403.153198 Da
  • ChemSpider ID24718796

More details:

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

[5-(3,4-Dimethoxyphenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl](3-pyridinyl)methanon [German] [ACD/IUPAC Name]
[5-(3,4-Dimethoxyphenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl](3-pyridinyl)methanone [ACD/IUPAC Name]
[5-(3,4-Diméthoxyphényl)-3-(4-hydroxyphényl)-4,5-dihydro-1H-pyrazol-1-yl](3-pyridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [5-(3,4-dimethoxyphenyl)-4,5-dihydro-3-(4-hydroxyphenyl)-1H-pyrazol-1-yl]-3-pyridinyl- [ACD/Index Name]
[5-(4-ethoxy-3-methoxy-phenyl)-3-(4-hydroxy-phenyl)-4,5-dihydropyrazol-1-yl]-pyridin-3-yl-methanone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL518550/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 597.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 315.3±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 112.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.10
ACD/KOC (pH 5.5): 415.72
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.13
ACD/KOC (pH 7.4): 416.20
Polar Surface Area: 84 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 314.6±7.0 cm3

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