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

• ChemBase ID: 532886
• Molecular Formular: C17H24N6
• Molecular Mass: 312.41266
• Monoisotopic Mass: 312.2062448
• SMILES: n12c(c(c(n2)C)C)nc(cc1N(CCCn1nccc1)C)CC
• Canonical SMILES: CCc1cc(N(CCCn2cccn2)C)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C17H24N6/c1-5-15-12-16(23-17(19-15)13(2)14(3)20-23)21(4)9-7-11-22-10-6-8-18-22/h6,8,10,12H,5,7,9,11H2,1-4H3
• InChIKey: ROMRYFDUMAWUHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6160889
• LogD (pH = 7.4): 2.61654
• Log P: 2.6165457
• Molar Refractivity: 114.1644 cm^3
• Polarizability: 34.33625 Å^3
• Polar Surface Area: 51.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.12
• LOG S: -4.14
• Polar Surface Area: 51.25 Å^2
• Rotatable Bonds: 6