ChemSpider 2D Image | {3-[4-(3,4-Difluorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl}[3-(1H-pyrazol-1-yl)phenyl]methanone | C24H21F2N5O

{3-[4-(3,4-Difluorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl}[3-(1H-pyrazol-1-yl)phenyl]methanone

  • Molecular FormulaC24H21F2N5O
  • Average mass433.453 Da
  • Monoisotopic mass433.171417 Da
  • ChemSpider ID22120216

More details:

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

{3-[4-(3,4-Difluorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl}[3-(1H-pyrazol-1-yl)phenyl]methanone [ACD/IUPAC Name]
{3-[4-(3,4-Difluorophényl)-1H-pyrazol-5-yl]-1-pipéridinyl}[3-(1H-pyrazol-1-yl)phényl]méthanone [French] [ACD/IUPAC Name]
{3-[4-(3,4-Difluorphenyl)-1H-pyrazol-5-yl]-1-piperidinyl}[3-(1H-pyrazol-1-yl)phenyl]methanon [German] [ACD/IUPAC Name]
Methanone, [3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl][3-(1H-pyrazol-1-yl)phenyl]- [ACD/Index Name]
3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(1H-pyrazol-1-yl)benzoyl]piperidine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 664.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.6±31.5 °C
Index of Refraction: 1.673
Molar Refractivity: 118.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 326.84
ACD/KOC (pH 5.5): 2194.50
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 326.92
ACD/KOC (pH 7.4): 2195.05
Polar Surface Area: 67 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 314.8±7.0 cm3

Click to predict properties on the Chemicalize site


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