ChemSpider 2D Image | (5-{[2-(2-Fluorophenyl)ethyl]amino}-1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)(1-piperidinyl)methanone | C22H29FN4O

(5-{[2-(2-Fluorophenyl)ethyl]amino}-1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)(1-piperidinyl)methanone

  • Molecular FormulaC22H29FN4O
  • Average mass384.490 Da
  • Monoisotopic mass384.232544 Da
  • ChemSpider ID22167026

More details:

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

(5-{[2-(2-Fluorophenyl)ethyl]amino}-1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)(1-piperidinyl)methanone [ACD/IUPAC Name]
(5-{[2-(2-Fluorophényl)éthyl]amino}-1-méthyl-4,5,6,7-tétrahydro-1H-indazol-3-yl)(1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
(5-{[2-(2-Fluorphenyl)ethyl]amino}-1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)(1-piperidinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [5-[[2-(2-fluorophenyl)ethyl]amino]-4,5,6,7-tetrahydro-1-methyl-1H-indazol-3-yl]-1-piperidinyl- [ACD/Index Name]
N-[2-(2-fluorophenyl)ethyl]-1-methyl-3-(1-piperidinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 592.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.1±30.1 °C
Index of Refraction: 1.634
Molar Refractivity: 108.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 16.45
Polar Surface Area: 50 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 302.9±7.0 cm3

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