N-ethyl-5-(2-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 637017
• Molecular Formular: C15H15FN4
• Molecular Mass: 270.3048032
• Monoisotopic Mass: 270.12807472
• SMILES: n12c(cc(nc1ccn2)c1c(F)cccc1)N(CC)C
• Canonical SMILES: CCN(c1cc(nc2n1ncc2)c1ccccc1F)C
• InChI: InChI=1S/C15H15FN4/c1-3-19(2)15-10-13(11-6-4-5-7-12(11)16)18-14-8-9-17-20(14)15/h4-10H,3H2,1-2H3
• InChIKey: UFVMNFBKNGGGOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-5-(2-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-ethyl-5-(2-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-ethyl-5-(2-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3828557
• LogD (pH = 7.4): 3.3828926
• Log P: 3.382893
• Molar Refractivity: 87.1847 cm^3
• Polarizability: 29.65021 Å^3
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.78
• LOG S: -4.4
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 3