5-phenyl-N-[2-(pyridin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 708846
• Molecular Formular: C19H17N5
• Molecular Mass: 315.37178
• Monoisotopic Mass: 315.14839557
• SMILES: n12c(nc(cc1NCCc1ccncc1)c1ccccc1)ccn2
• Canonical SMILES: c1ccc(cc1)c1cc(NCCc2ccncc2)n2c(n1)ccn2
• InChI: InChI=1S/C19H17N5/c1-2-4-16(5-3-1)17-14-19(24-18(23-17)9-13-22-24)21-12-8-15-6-10-20-11-7-15/h1-7,9-11,13-14,21H,8,12H2
• InChIKey: PWOMOEXCYZTWPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenyl-N-[2-(pyridin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-phenyl-N-[2-(pyridin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-phenyl-N-[2-(4-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7523992
• LogD (pH = 7.4): 3.0377593
• Log P: 3.0435793
• Molar Refractivity: 105.1956 cm^3
• Polarizability: 36.81346 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.09
• LOG S: -2.84
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5