5-propyl-N-[2-(pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 461884
• Molecular Formular: C16H19N5
• Molecular Mass: 281.35556
• Monoisotopic Mass: 281.16404563
• SMILES: n12c(nc(cc1NCCc1cnccc1)CCC)ccn2
• Canonical SMILES: CCCc1cc(NCCc2cccnc2)n2c(n1)ccn2
• InChI: InChI=1S/C16H19N5/c1-2-4-14-11-16(21-15(20-14)7-10-19-21)18-9-6-13-5-3-8-17-12-13/h3,5,7-8,10-12,18H,2,4,6,9H2,1H3
• InChIKey: JDGRPTXGHFCTPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-propyl-N-[2-(pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-propyl-N-[2-(pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-propyl-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0289679
• LogD (pH = 7.4): 2.2821183
• Log P: 2.2869782
• Molar Refractivity: 94.2508 cm^3
• Polarizability: 31.26792 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.79
• LOG S: -2.33
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 6