5-(2-fluorophenyl)-N-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 864908
• Molecular Formular: C17H16FN7
• Molecular Mass: 337.3542432
• Monoisotopic Mass: 337.14512177
• SMILES: n12c(nc(cc1NCCn1nnc(c1)C)c1c(F)cccc1)ccn2
• Canonical SMILES: Cc1nnn(c1)CCNc1cc(nc2n1ncc2)c1ccccc1F
• InChI: InChI=1S/C17H16FN7/c1-12-11-24(23-22-12)9-8-19-17-10-15(13-4-2-3-5-14(13)18)21-16-6-7-20-25(16)17/h2-7,10-11,19H,8-9H2,1H3
• InChIKey: RGRFADMFPFUXFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluorophenyl)-N-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(2-fluorophenyl)-N-[2-(4-methyl-1,2,3-triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(2-fluorophenyl)-N-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.370853
• LogD (pH = 7.4): 2.3708942
• Log P: 2.3708947
• Molar Refractivity: 114.1422 cm^3
• Polarizability: 35.032295 Å^3
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.85
• LOG S: -4.09
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 5