N-[(2,5-difluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 717221
• Molecular Formular: C15H14F2N4
• Molecular Mass: 288.2952664
• Monoisotopic Mass: 288.11865291
• SMILES: n12c(nc(cc1NCc1c(ccc(c1)F)F)C)cc(n2)C
• Canonical SMILES: Fc1ccc(c(c1)CNc1cc(C)nc2n1nc(c2)C)F
• InChI: InChI=1S/C15H14F2N4/c1-9-5-14(21-15(19-9)6-10(2)20-21)18-8-11-7-12(16)3-4-13(11)17/h3-7,18H,8H2,1-2H3
• InChIKey: IHYZUKODMDLOHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,5-difluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[(2,5-difluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-(2,5-difluorobenzyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4872737
• LogD (pH = 7.4): 2.4876542
• Log P: 2.487659
• Molar Refractivity: 87.4491 cm^3
• Polarizability: 27.859573 Å^3
• Polar Surface Area: 42.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.29
• LOG S: -4.11
• Polar Surface Area: 42.22 Å^2
• Rotatable Bonds: 3