ChemSpider 2D Image | 3-{1-[5-Fluoro-2-(1H-pyrazol-1-yl)benzyl]-4-piperidinyl}-1-(1-pyrrolidinyl)-1-propanone | C22H29FN4O

3-{1-[5-Fluoro-2-(1H-pyrazol-1-yl)benzyl]-4-piperidinyl}-1-(1-pyrrolidinyl)-1-propanone

  • Molecular FormulaC22H29FN4O
  • Average mass384.490 Da
  • Monoisotopic mass384.232544 Da
  • ChemSpider ID22237151

More details:

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

1-Propanone, 3-[1-[[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]methyl]-4-piperidinyl]-1-(1-pyrrolidinyl)- [ACD/Index Name]
3-{1-[5-Fluor-2-(1H-pyrazol-1-yl)benzyl]-4-piperidinyl}-1-(1-pyrrolidinyl)-1-propanon [German] [ACD/IUPAC Name]
3-{1-[5-Fluoro-2-(1H-pyrazol-1-yl)benzyl]-4-piperidinyl}-1-(1-pyrrolidinyl)-1-propanone [ACD/IUPAC Name]
3-{1-[5-Fluoro-2-(1H-pyrazol-1-yl)benzyl]-4-pipéridinyl}-1-(1-pyrrolidinyl)-1-propanone [French] [ACD/IUPAC Name]
1-[5-fluoro-2-(1H-pyrazol-1-yl)benzyl]-4-[3-oxo-3-(1-pyrrolidinyl)propyl]piperidine
3-(1-{[5-FLUORO-2-(1H-PYRAZOL-1-YL)PHENYL]METHYL}PIPERIDIN-4-YL)-1-(PYRROLIDIN-1-YL)PROPAN-1-ONE
3-(1-{[5-FLUORO-2-(PYRAZOL-1-YL)PHENYL]METHYL}PIPERIDIN-4-YL)-1-(PYRROLIDIN-1-YL)PROPAN-1-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 533.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.3±28.7 °C
Index of Refraction: 1.624
Molar Refractivity: 109.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.23
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 18.45
ACD/KOC (pH 7.4): 159.27
Polar Surface Area: 41 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 309.8±7.0 cm3

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