(5S)-4-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-1,2,2,5-tetramethylpiperazine

• ChemBase ID: 478730
• Molecular Formular: C16H25N5
• Molecular Mass: 287.4032
• Monoisotopic Mass: 287.21099583
• SMILES: c1(n2c(nc(c1)CC)ccn2)N1CC(N(C[C@@H]1C)C)(C)C
• Canonical SMILES: CCc1cc(N2CC(C)(C)N(C[C@@H]2C)C)n2c(n1)ccn2
• InChI: InChI=1S/C16H25N5/c1-6-13-9-15(21-14(18-13)7-8-17-21)20-11-16(3,4)19(5)10-12(20)2/h7-9,12H,6,10-11H2,1-5H3/t12-/m0/s1
• InChIKey: ALOWCHJRHREZOV-LBPRGKRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5S)-4-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-1,2,2,5-tetramethylpiperazine
• IUPAC Traditional name: (5S)-4-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-1,2,2,5-tetramethylpiperazine
• Synonyms: 5-ethyl-7-[(2S)-2,4,5,5-tetramethyl-1-piperazinyl]pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.14036854
• LogD (pH = 7.4): 1.6256579
• Log P: 2.6430597
• Molar Refractivity: 96.1998 cm^3
• Polarizability: 32.65582 Å^3
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.92
• LOG S: -2.78
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 2