1-(3-methoxypropyl)-4-{5-propylpyrazolo[1,5-a]pyrimidin-7-yl}piperazine

• ChemBase ID: 572892
• Molecular Formular: C17H27N5O
• Molecular Mass: 317.42918
• Monoisotopic Mass: 317.22156051
• SMILES: n12c(cc(nc1ccn2)CCC)N1CCN(CC1)CCCOC
• Canonical SMILES: CCCc1cc(N2CCN(CC2)CCCOC)n2c(n1)ccn2
• InChI: InChI=1S/C17H27N5O/c1-3-5-15-14-17(22-16(19-15)6-7-18-22)21-11-9-20(10-12-21)8-4-13-23-2/h6-7,14H,3-5,8-13H2,1-2H3
• InChIKey: QOLOMAIQJAVRFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxypropyl)-4-{5-propylpyrazolo[1,5-a]pyrimidin-7-yl}piperazine
• IUPAC Traditional name: 1-(3-methoxypropyl)-4-{5-propylpyrazolo[1,5-a]pyrimidin-7-yl}piperazine
• Synonyms: 7-[4-(3-methoxypropyl)-1-piperazinyl]-5-propylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.4805452
• LogD (pH = 7.4): 1.2836673
• Log P: 1.986886
• Molar Refractivity: 103.2339 cm^3
• Polarizability: 35.1895 Å^3
• Polar Surface Area: 45.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.15
• LOG S: -2.34
• Polar Surface Area: 45.9 Å^2
• Rotatable Bonds: 7