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

• ChemBase ID: 568643
• Molecular Formular: C14H15N5
• Molecular Mass: 253.3024
• Monoisotopic Mass: 253.13274551
• SMILES: n12c(nc(cc1NCc1cnccc1)CC)ccn2
• Canonical SMILES: CCc1cc(NCc2cccnc2)n2c(n1)ccn2
• InChI: InChI=1S/C14H15N5/c1-2-12-8-14(19-13(18-12)5-7-17-19)16-10-11-4-3-6-15-9-11/h3-9,16H,2,10H2,1H3
• InChIKey: HSCUSLDITTXVQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-N-(3-pyridinylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4811131
• LogD (pH = 7.4): 1.5527334
• Log P: 1.5537485
• Molar Refractivity: 84.8948 cm^3
• Polarizability: 27.657925 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.7
• LOG S: -1.2
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 4