ChemSpider 2D Image | (1-{[3-(2-Fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(1-pyrrolidinyl)methanone | C21H27FN4O2

(1-{[3-(2-Fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(1-pyrrolidinyl)methanone

  • Molecular FormulaC21H27FN4O2
  • Average mass386.463 Da
  • Monoisotopic mass386.211792 Da
  • ChemSpider ID22130631

More details:

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

(1-{[3-(2-Fluor-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(1-pyrrolidinyl)methanon [German] [ACD/IUPAC Name]
(1-{[3-(2-Fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(1-pyrrolidinyl)methanone [ACD/IUPAC Name]
(1-{[3-(2-Fluoro-4-méthoxyphényl)-1H-pyrazol-4-yl]méthyl}-4-pipéridinyl)(1-pyrrolidinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [1-[[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidinyl]-1-pyrrolidinyl- [ACD/Index Name]
1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(1-pyrrolidinylcarbonyl)piperidine
1-{[3-(2-FLUORO-4-METHOXYPHENYL)-1H-PYRAZOL-4-YL]METHYL}-4-(PYRROLIDINE-1-CARBONYL)PIPERIDINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 591.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.3±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 13.32
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 39.26
ACD/KOC (pH 7.4): 416.07
Polar Surface Area: 61 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 307.9±3.0 cm3

Click to predict properties on the Chemicalize site


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