ChemSpider 2D Image | N-[2-(2-Chloro-6-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]-1-methyl-3-(3-pyridinyl)-1H-pyrazole-4-carboxamide | C22H23ClFN5O

N-[2-(2-Chloro-6-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]-1-methyl-3-(3-pyridinyl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC22H23ClFN5O
  • Average mass427.902 Da
  • Monoisotopic mass427.157501 Da
  • ChemSpider ID30154848

More details:

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

1H-Pyrazole-4-carboxamide, N-[2-(2-chloro-6-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]-1-methyl-3-(3-pyridinyl)- [ACD/Index Name]
N-[2-(2-Chlor-6-fluorphenyl)-2-(1-pyrrolidinyl)ethyl]-1-methyl-3-(3-pyridinyl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-[2-(2-Chloro-6-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]-1-methyl-3-(3-pyridinyl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-[2-(2-Chloro-6-fluorophényl)-2-(1-pyrrolidinyl)éthyl]-1-méthyl-3-(3-pyridinyl)-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 612.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.4±31.5 °C
Index of Refraction: 1.653
Molar Refractivity: 116.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.76
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 21.63
ACD/KOC (pH 7.4): 246.23
Polar Surface Area: 63 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 316.8±7.0 cm3

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