ChemSpider 2D Image | 5-(4-{[1-(3,4-Difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]carbonyl}-1-piperazinyl)-2-(2-furyl)-1,3-oxazole-4-carbonitrile | C25H20F2N6O3

5-(4-{[1-(3,4-Difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]carbonyl}-1-piperazinyl)-2-(2-furyl)-1,3-oxazole-4-carbonitrile

  • Molecular FormulaC25H20F2N6O3
  • Average mass490.461 Da
  • Monoisotopic mass490.156494 Da
  • ChemSpider ID33468483

More details:

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

4-Oxazolecarbonitrile, 5-[4-[[1-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]carbonyl]-1-piperazinyl]-2-(2-furanyl)- [ACD/Index Name]
5-(4-{[1-(3,4-Difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]carbonyl}-1-piperazinyl)-2-(2-furyl)-1,3-oxazole-4-carbonitrile [ACD/IUPAC Name]
5-(4-{[1-(3,4-Difluorophényl)-1,4,5,6-tétrahydrocyclopenta[c]pyrazol-3-yl]carbonyl}-1-pipérazinyl)-2-(2-furyl)-1,3-oxazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-(4-{[1-(3,4-Difluorphenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]carbonyl}-1-piperazinyl)-2-(2-furyl)-1,3-oxazol-4-carbonitril [German] [ACD/IUPAC 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: 729.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 394.9±35.7 °C
Index of Refraction: 1.721
Molar Refractivity: 125.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.90
ACD/KOC (pH 5.5): 192.42
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.90
ACD/KOC (pH 7.4): 192.42
Polar Surface Area: 104 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 318.1±7.0 cm3

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