ChemSpider 2D Image | 4-[(2,6-Difluorobenzoyl)amino]-N-[(3S)-3-piperidinyl]-1H-pyrazole-3-carboxamide | C16H17F2N5O2

4-[(2,6-Difluorobenzoyl)amino]-N-[(3S)-3-piperidinyl]-1H-pyrazole-3-carboxamide

  • Molecular FormulaC16H17F2N5O2
  • Average mass349.335 Da
  • Monoisotopic mass349.135040 Da
  • ChemSpider ID25045839

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazole-3-carboxamide, 4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-3-piperidinyl]- [ACD/Index Name]
4-[(2,6-Difluorbenzoyl)amino]-N-[(3S)-3-piperidinyl]-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
4-[(2,6-Difluorobenzoyl)amino]-N-[(3S)-3-piperidinyl]-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
4-[(2,6-Difluorobenzoyl)amino]-N-[(3S)-3-pipéridinyl]-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
4-(2,6-difluorobenzamido)-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
4-C-(2,6-difluorobenzene)-3-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3,4-dicarboxamide
LZD
pyrazole diamide, 29

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

Density: 1.4±0.1 g/cm3
Boiling Point: 532.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.6±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 84.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.06
ACD/LogD (pH 5.5): -2.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 244.7±5.0 cm3

Click to predict properties on the Chemicalize site


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