N-benzyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 633350
• Molecular Formular: C19H15FN4
• Molecular Mass: 318.3476032
• Monoisotopic Mass: 318.12807472
• SMILES: n12c(nc(cc1NCc1ccccc1)c1ccc(cc1)F)ccn2
• Canonical SMILES: Fc1ccc(cc1)c1cc(NCc2ccccc2)n2c(n1)ccn2
• InChI: InChI=1S/C19H15FN4/c20-16-8-6-15(7-9-16)17-12-19(24-18(23-17)10-11-22-24)21-13-14-4-2-1-3-5-14/h1-12,21H,13H2
• InChIKey: JXAMOOIQTJKWCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-benzyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-benzyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.1152534
• LogD (pH = 7.4): 4.115292
• Log P: 4.1152925
• Molar Refractivity: 102.8139 cm^3
• Polarizability: 35.56202 Å^3
• Polar Surface Area: 42.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.95
• LOG S: -4.89
• Polar Surface Area: 42.22 Å^2
• Rotatable Bonds: 4