ChemSpider 2D Image | 4-Amino-3-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1H-pyrazole-5-carboxamide | C9H15N5O4

4-Amino-3-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1H-pyrazole-5-carboxamide

  • Molecular FormulaC9H15N5O4
  • Average mass257.246 Da
  • Monoisotopic mass257.112396 Da
  • ChemSpider ID23136610
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

1H-Pyrazole-5-carboxamide, 4-amino-3-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]- [ACD/Index Name]
4-Amino-3-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
4-Amino-3-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
4-Amino-3-[(2R,5R)-3,4-dihydroxy-5-(hydroxyméthyl)-2-pyrrolidinyl]-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
4-Amino-5-(3,4-dihydroxy-5-hydroxymethyl-pyrrolidin-2-yl)-2H-pyrazole-3-carboxylic acid amide
CHEMBL41949

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 594.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.5±30.1 °C
Index of Refraction: 1.728
Molar Refractivity: 61.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 9
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -3.98
ACD/LogD (pH 5.5): -4.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 106.6±3.0 dyne/cm
Molar Volume: 154.0±3.0 cm3

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