ChemSpider 2D Image | 4-Pyridinyl[(3S)-1',3',5-triphenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl]methanone | C30H23N5O

4-Pyridinyl[(3S)-1',3',5-triphenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl]methanone

  • Molecular FormulaC30H23N5O
  • Average mass469.536 Da
  • Monoisotopic mass469.190247 Da
  • ChemSpider ID29303706

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Pyridinyl[(3S)-1',3',5-triphenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl]methanon [German] [ACD/IUPAC Name]
4-Pyridinyl[(3S)-1',3',5-triphenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl]methanone [ACD/IUPAC Name]
4-Pyridinyl[(3S)-1',3',5-triphényl-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [(5'S)-4',5'-dihydro-1,3,3'-triphenyl[4,5'-bi-1H-pyrazol]-1'-yl]-4-pyridinyl- [ACD/Index Name]
[(3S)-3-(1,3-diphenylpyrazol-4-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
1334549-16-4 [RN]
AKOS016035456
MFCD30177788

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

Density: 1.2±0.1 g/cm3
Boiling Point: 669.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.5±34.3 °C
Index of Refraction: 1.686
Molar Refractivity: 143.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1804.47
ACD/KOC (pH 5.5): 7425.57
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1830.11
ACD/KOC (pH 7.4): 7531.06
Polar Surface Area: 63 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 376.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement