Found 178 results

Search term: MF = 'C_{17}H_{21}F_{3}N_{4}OS'
ChemSpider 2D Image | N-{[1-(2-Thienylmethyl)-4-piperidinyl]methyl}-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide | C17H21F3N4OS

N-{[1-(2-Thienylmethyl)-4-piperidinyl]methyl}-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC17H21F3N4OS
  • Average mass386.435 Da
  • Monoisotopic mass386.138824 Da
  • ChemSpider ID65309538

More details:

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

1H-Pyrazole-4-carboxamide, N-[[1-(2-thienylmethyl)-4-piperidinyl]methyl]-1-(2,2,2-trifluoroethyl)- [ACD/Index Name]
N-{[1-(2-Thienylmethyl)-4-piperidinyl]methyl}-1-(2,2,2-trifluorethyl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-{[1-(2-Thienylmethyl)-4-piperidinyl]methyl}-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-{[1-(2-Thiénylméthyl)-4-pipéridinyl]méthyl}-1-(2,2,2-trifluoroéthyl)-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: 519.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 267.8±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 96.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.54
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 6.61
ACD/KOC (pH 7.4): 75.20
Polar Surface Area: 78 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 277.5±7.0 cm3

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