ChemSpider 2D Image | 4-{2-(4-Amino-1-piperidinyl)-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-4-pyrimidinyl}-2-fluorobenzonitrile | C21H19F4N7

4-{2-(4-Amino-1-piperidinyl)-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-4-pyrimidinyl}-2-fluorobenzonitrile

  • Molecular FormulaC21H19F4N7
  • Average mass445.416 Da
  • Monoisotopic mass445.163818 Da
  • ChemSpider ID128967963

More details:

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

4-{2-(4-Amino-1-piperidinyl)-5-[1-(2,2,2-trifluorethyl)-1H-pyrazol-4-yl]-4-pyrimidinyl}-2-fluorbenzonitril [German] [ACD/IUPAC Name]
4-{2-(4-Amino-1-piperidinyl)-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-4-pyrimidinyl}-2-fluorobenzonitrile [ACD/IUPAC Name]
4-{2-(4-Amino-1-pipéridinyl)-5-[1-(2,2,2-trifluoroéthyl)-1H-pyrazol-4-yl]-4-pyrimidinyl}-2-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[2-(4-amino-1-piperidinyl)-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-4-pyrimidinyl]-2-fluoro- [ACD/Index 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: 586.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.7±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 110.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.26
Polar Surface Area: 97 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 302.5±7.0 cm3

Click to predict properties on the Chemicalize site


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