5-ethyl-2,3-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 549184
• Molecular Formular: C15H20N6
• Molecular Mass: 284.3595
• Monoisotopic Mass: 284.17494467
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCc1n[nH]c(c1)C)CC
• Canonical SMILES: CCc1cc(NCc2n[nH]c(c2)C)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C15H20N6/c1-5-12-7-14(16-8-13-6-9(2)18-19-13)21-15(17-12)10(3)11(4)20-21/h6-7,16H,5,8H2,1-4H3,(H,18,19)
• InChIKey: LQCJDKXUQCXNJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-2,3-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-2,3-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-2,3-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.484467
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.000945
• LogD (pH = 7.4): 2.0014236
• Log P: 2.0014296
• Molar Refractivity: 94.9993 cm^3
• Polarizability: 30.655403 Å^3
• Polar Surface Area: 70.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.67
• LOG S: -3.55
• Polar Surface Area: 70.9 Å^2
• Rotatable Bonds: 4