N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 410800
• Molecular Formular: C17H24N6
• Molecular Mass: 312.41266
• Monoisotopic Mass: 312.2062448
• SMILES: n12c(c(c(n2)C)C)nc(cc1N(CCc1c([nH]nc1C)C)C)C
• Canonical SMILES: Cc1cc(N(CCc2c(C)n[nH]c2C)C)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C17H24N6/c1-10-9-16(23-17(18-10)11(2)12(3)21-23)22(6)8-7-15-13(4)19-20-14(15)5/h9H,7-8H2,1-6H3,(H,19,20)
• InChIKey: QOOPOGOGOGETFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.27392
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.270728
• LogD (pH = 7.4): 2.2746687
• Log P: 2.274719
• Molar Refractivity: 104.4759 cm^3
• Polarizability: 34.18033 Å^3
• Polar Surface Area: 62.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.42
• LOG S: -4.4
• Polar Surface Area: 62.11 Å^2
• Rotatable Bonds: 4