1-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}-4-(2-phenylethyl)piperazine

• ChemBase ID: 332234
• Molecular Formular: C19H23N5
• Molecular Mass: 321.41942
• Monoisotopic Mass: 321.19534576
• SMILES: n12c(cc(nc1ccn2)C)N1CCN(CC1)CCc1ccccc1
• Canonical SMILES: Cc1cc(N2CCN(CC2)CCc2ccccc2)n2c(n1)ccn2
• InChI: InChI=1S/C19H23N5/c1-16-15-19(24-18(21-16)7-9-20-24)23-13-11-22(12-14-23)10-8-17-5-3-2-4-6-17/h2-7,9,15H,8,10-14H2,1H3
• InChIKey: JNCWUWXWXYFHIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}-4-(2-phenylethyl)piperazine
• IUPAC Traditional name: 1-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}-4-(2-phenylethyl)piperazine
• Synonyms: 5-methyl-7-[4-(2-phenylethyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.28232372
• LogD (pH = 7.4): 2.0543466
• Log P: 2.8419316
• Molar Refractivity: 107.4647 cm^3
• Polarizability: 36.65681 Å^3
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.81
• LOG S: -2.94
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 4