N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

• ChemBase ID: 847030
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)NCC(c1occc1)N(CC)CC)C
• Canonical SMILES: CCN(C(c1ccco1)CNC(=O)c1cc(C)n2c(n1)cc(n2)C)CC
• InChI: InChI=1S/C19H25N5O2/c1-5-23(6-2)16(17-8-7-9-26-17)12-20-19(25)15-11-14(4)24-18(21-15)10-13(3)22-24/h7-11,16H,5-6,12H2,1-4H3,(H,20,25)
• InChIKey: KSILLKVATKLZKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
• IUPAC Traditional name: N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
• Synonyms: N-[2-(diethylamino)-2-(2-furyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): -0.46814743
• LogD (pH = 7.4): 1.2985263
• Log P: 2.020818
• Molar Refractivity: 111.3079 cm^3
• Polarizability: 37.796272 Å^3
• Polar Surface Area: 75.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 14.152247
• H Acceptors: 4
• H Donor: 1

供应商提供(Chembridge)

• Log P: 2.4
• LOG S: -3.84
• Polar Surface Area: 75.67 Å^2
• Rotatable Bonds: 7
• H Acceptors: 5
• H Donor: 1