5-(2-fluorophenyl)-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 843295
• Molecular Formular: C14H11FN8
• Molecular Mass: 310.2891432
• Monoisotopic Mass: 310.10907061
• SMILES: n12c(nc(cc1NCc1nnn[nH]1)c1c(F)cccc1)ccn2
• Canonical SMILES: Fc1ccccc1c1cc(NCc2nnn[nH]2)n2c(n1)ccn2
• InChI: InChI=1S/C14H11FN8/c15-10-4-2-1-3-9(10)11-7-14(16-8-12-19-21-22-20-12)23-13(18-11)5-6-17-23/h1-7,16H,8H2,(H,19,20,21,22)
• InChIKey: KUDZXPCRFUHIPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.114599
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.24367055
• LogD (pH = 7.4): -0.15861209
• Log P: 1.4442488
• Molar Refractivity: 94.4015 cm^3
• Polarizability: 30.669455 Å^3
• Polar Surface Area: 96.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.57
• LOG S: -2.8
• Polar Surface Area: 96.68 Å^2
• Rotatable Bonds: 4