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

• ChemBase ID: 678354
• Molecular Formular: C17H16FN7
• Molecular Mass: 337.3542432
• Monoisotopic Mass: 337.14512177
• SMILES: n12c(nc(cc1NCCCn1nncc1)c1c(F)cccc1)ccn2
• Canonical SMILES: Fc1ccccc1c1cc(NCCCn2nncc2)n2c(n1)ccn2
• InChI: InChI=1S/C17H16FN7/c18-14-5-2-1-4-13(14)15-12-17(25-16(22-15)6-8-21-25)19-7-3-10-24-11-9-20-23-24/h1-2,4-6,8-9,11-12,19H,3,7,10H2
• InChIKey: APNOPLPXIKQGLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.29944
• LogD (pH = 7.4): 2.2994835
• Log P: 2.2994843
• Molar Refractivity: 114.4161 cm^3
• Polarizability: 35.106773 Å^3
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.72
• LOG S: -3.98
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 6