ChemSpider 2D Image | 6-Amino-1-ethyl-4-(3-methyl-2-thienyl)-N-[4-(1-pyrrolidinyl)butyl]-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide | C23H30F3N5O2S

6-Amino-1-ethyl-4-(3-methyl-2-thienyl)-N-[4-(1-pyrrolidinyl)butyl]-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide

  • Molecular FormulaC23H30F3N5O2S
  • Average mass497.577 Da
  • Monoisotopic mass497.207245 Da
  • ChemSpider ID119504086

More details:

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

6-Amino-1-ethyl-4-(3-methyl-2-thienyl)-N-[4-(1-pyrrolidinyl)butyl]-3-(trifluormethyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
6-Amino-1-ethyl-4-(3-methyl-2-thienyl)-N-[4-(1-pyrrolidinyl)butyl]-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide [ACD/IUPAC Name]
6-Amino-1-éthyl-4-(3-méthyl-2-thiényl)-N-[4-(1-pyrrolidinyl)butyl]-3-(trifluorométhyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-5-carboxamide, 6-amino-1-ethyl-1,4-dihydro-4-(3-methyl-2-thienyl)-N-[4-(1-pyrrolidinyl)butyl]-3-(trifluoromethyl)- [ACD/Index 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: 617.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.2±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 124.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.14
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.46
Polar Surface Area: 114 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 346.8±7.0 cm3

Click to predict properties on the Chemicalize site


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