N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 601819
• Molecular Formular: C17H22N6
• Molecular Mass: 310.39678
• Monoisotopic Mass: 310.19059473
• SMILES: n12c(c(c(n2)C)C)nc(cc1N(Cc1n[nH]c(c1)C1CC1)C)C
• Canonical SMILES: Cc1cc(N(Cc2n[nH]c(c2)C2CC2)C)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C17H22N6/c1-10-7-16(23-17(18-10)11(2)12(3)21-23)22(4)9-14-8-15(20-19-14)13-5-6-13/h7-8,13H,5-6,9H2,1-4H3,(H,19,20)
• InChIKey: WBFALODBPVDAJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.068599
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3594868
• LogD (pH = 7.4): 2.3599231
• Log P: 2.3599288
• Molar Refractivity: 101.8006 cm^3
• Polarizability: 33.607933 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: 3.35
• LOG S: -4.32
• Polar Surface Area: 62.11 Å^2
• Rotatable Bonds: 4