ChemSpider 2D Image | N-(1-{1-[(3-Methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)nicotinamide | C22H29N7O

N-(1-{1-[(3-Methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)nicotinamide

  • Molecular FormulaC22H29N7O
  • Average mass407.512 Da
  • Monoisotopic mass407.243347 Da
  • ChemSpider ID22139779

More details:

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

3-Pyridinecarboxamide, N-[1-[1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl]-1H-pyrazol-5-yl]- [ACD/Index Name]
N-(1-{1-[(3-Methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)nicotinamid [German] [ACD/IUPAC Name]
N-(1-{1-[(3-Methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)nicotinamide [ACD/IUPAC Name]
N-(1-{1-[(3-Méthyl-1-propyl-1H-pyrazol-4-yl)méthyl]-4-pipéridinyl}-1H-pyrazol-5-yl)nicotinamide [French] [ACD/IUPAC Name]
N-(1-{1-[(3-METHYL-1-PROPYL-1H-PYRAZOL-4-YL)METHYL]PIPERIDIN-4-YL}-1H-PYRAZOL-5-YL)PYRIDINE-3-CARBOXAMIDE
N-(2-{1-[(3-METHYL-1-PROPYLPYRAZOL-4-YL)METHYL]PIPERIDIN-4-YL}PYRAZOL-3-YL)PYRIDINE-3-CARBOXAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 537.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.1±30.1 °C
Index of Refraction: 1.663
Molar Refractivity: 118.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.60
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 6.77
ACD/KOC (pH 7.4): 108.44
Polar Surface Area: 81 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 319.2±7.0 cm3

Click to predict properties on the Chemicalize site


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