6-[(diethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 658663
• Molecular Formular: C21H26FN5O
• Molecular Mass: 383.4624432
• Monoisotopic Mass: 383.2121387
• SMILES: c1(c2n(nc1)cc(cn2)CN(CC)CC)C(=O)N(C(c1ccc(cc1)F)C)C
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)N(C(c1ccc(cc1)F)C)C)CC
• InChI: InChI=1S/C21H26FN5O/c1-5-26(6-2)13-16-11-23-20-19(12-24-27(20)14-16)21(28)25(4)15(3)17-7-9-18(22)10-8-17/h7-12,14-15H,5-6,13H2,1-4H3
• InChIKey: LUAWBMLJGNEFBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(diethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: 6-[(diethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: 6-[(diethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.06513035
• LogD (pH = 7.4): 1.8255585
• Log P: 2.8897278
• Molar Refractivity: 119.9331 cm^3
• Polarizability: 40.73555 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.76
• LOG S: -2.65
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 7