4-(benzyloxy)-1-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}piperidine

• ChemBase ID: 348367
• Molecular Formular: C20H24N4O
• Molecular Mass: 336.43076
• Monoisotopic Mass: 336.19501141
• SMILES: n12c(cc(nc1ccn2)CC)N1CCC(CC1)OCc1ccccc1
• Canonical SMILES: CCc1cc(N2CCC(CC2)OCc2ccccc2)n2c(n1)ccn2
• InChI: InChI=1S/C20H24N4O/c1-2-17-14-20(24-19(22-17)8-11-21-24)23-12-9-18(10-13-23)25-15-16-6-4-3-5-7-16/h3-8,11,14,18H,2,9-10,12-13,15H2,1H3
• InChIKey: BNRCSADFRSZAKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-1-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}piperidine
• IUPAC Traditional name: 4-(benzyloxy)-1-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}piperidine
• Synonyms: 7-[4-(benzyloxy)piperidin-1-yl]-5-ethylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3678257
• LogD (pH = 7.4): 3.3678722
• Log P: 3.3678727
• Molar Refractivity: 109.762 cm^3
• Polarizability: 37.729313 Å^3
• Polar Surface Area: 42.66 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: 3.58
• LOG S: -4.71
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 5