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

• ChemBase ID: 400744
• Molecular Formular: C17H27N5
• Molecular Mass: 301.42978
• Monoisotopic Mass: 301.22664589
• SMILES: n12c(c(c(n2)C)C)nc(cc1N(CCN1CCCC1)C)CC
• Canonical SMILES: CCc1cc(N(CCN2CCCC2)C)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C17H27N5/c1-5-15-12-16(20(4)10-11-21-8-6-7-9-21)22-17(18-15)13(2)14(3)19-22/h12H,5-11H2,1-4H3
• InChIKey: VGMZNNOIDGWBRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.44224897
• LogD (pH = 7.4): 1.1581724
• Log P: 2.751447
• Molar Refractivity: 101.8667 cm^3
• Polarizability: 34.336838 Å^3
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.38
• LOG S: -3.28
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 5