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

• ChemBase ID: 317246
• Molecular Formular: C14H13FN4
• Molecular Mass: 256.2782232
• Monoisotopic Mass: 256.11242466
• SMILES: n12c(cc(nc1ccn2)c1ccc(cc1)F)N(C)C
• Canonical SMILES: Fc1ccc(cc1)c1cc(N(C)C)n2c(n1)ccn2
• InChI: InChI=1S/C14H13FN4/c1-18(2)14-9-12(10-3-5-11(15)6-4-10)17-13-7-8-16-19(13)14/h3-9H,1-2H3
• InChIKey: LUVOYTHZHWXWIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.026039
• LogD (pH = 7.4): 3.0260844
• Log P: 3.0260851
• Molar Refractivity: 82.4361 cm^3
• Polarizability: 27.799736 Å^3
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.68
• LOG S: -3.36
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 2