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Search term: YHCLQAVKRVLZRL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(3-Aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine | C13H15N5S

3-(3-Aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine

  • Molecular FormulaC13H15N5S
  • Average mass273.357 Da
  • Monoisotopic mass273.104828 Da
  • ChemSpider ID22511223

More details:

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

1H-Pyrazole-3-propanamine, 5-amino-4-(2-benzothiazolyl)- [ACD/Index Name]
3-(3-Aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amin [German] [ACD/IUPAC Name]
3-(3-Aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine [ACD/IUPAC Name]
3-(3-Aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine [French] [ACD/IUPAC Name]
5-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-2H-pyrazol-3-amine
654064-84-3 [RN]
MFCD11505368 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 576.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.2±32.9 °C
Index of Refraction: 1.736
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.82
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.23
Polar Surface Area: 122 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 76.6±3.0 dyne/cm
Molar Volume: 198.4±3.0 cm3

Click to predict properties on the Chemicalize site


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