N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 342891
• Molecular Formular: C17H24N6
• Molecular Mass: 312.41266
• Monoisotopic Mass: 312.2062448
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCCCn1nc(cc1C)C)C
• Canonical SMILES: Cc1cc(NCCCn2nc(cc2C)C)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C17H24N6/c1-11-10-16(23-17(19-11)14(4)15(5)21-23)18-7-6-8-22-13(3)9-12(2)20-22/h9-10,18H,6-8H2,1-5H3
• InChIKey: TVPOARAMAQOBGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6082858
• LogD (pH = 7.4): 1.6116328
• Log P: 1.6116756
• Molar Refractivity: 115.0439 cm^3
• Polarizability: 34.178833 Å^3
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.25
• LOG S: -4.25
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 5