5-ethyl-N-[2-(pyridin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 503940
• Molecular Formular: C15H17N5
• Molecular Mass: 267.32898
• Monoisotopic Mass: 267.14839557
• SMILES: n12c(nc(cc1NCCc1ccncc1)CC)ccn2
• Canonical SMILES: CCc1cc(NCCc2ccncc2)n2c(n1)ccn2
• InChI: InChI=1S/C15H17N5/c1-2-13-11-15(20-14(19-13)6-10-18-20)17-9-5-12-3-7-16-8-4-12/h3-4,6-8,10-11,17H,2,5,9H2,1H3
• InChIKey: ACUXQHSWADUFRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-[2-(pyridin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-N-[2-(pyridin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-N-[2-(4-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.55122
• LogD (pH = 7.4): 1.8365896
• Log P: 1.8424096
• Molar Refractivity: 89.6498 cm^3
• Polarizability: 29.42444 Å^3
• Polar Surface Area: 55.11 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: 2.26
• LOG S: -1.78
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5