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

• ChemBase ID: 866228
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: n12c(cc(nc1ccn2)CC)N1CCN(C(=O)c2ccc(cc2)OC)CC1
• Canonical SMILES: CCc1cc(N2CCN(CC2)C(=O)c2ccc(cc2)OC)n2c(n1)ccn2
• InChI: InChI=1S/C20H23N5O2/c1-3-16-14-19(25-18(22-16)8-9-21-25)23-10-12-24(13-11-23)20(26)15-4-6-17(27-2)7-5-15/h4-9,14H,3,10-13H2,1-2H3
• InChIKey: YDZFGJIXXKHNNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-4-(4-methoxybenzoyl)piperazine
• IUPAC Traditional name: 1-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-4-(4-methoxybenzoyl)piperazine
• Synonyms: 5-ethyl-7-[4-(4-methoxybenzoyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4526842
• LogD (pH = 7.4): 2.45273
• Log P: 2.4527307
• Molar Refractivity: 114.1289 cm^3
• Polarizability: 38.71717 Å^3
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.75
• LOG S: -3.36
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 4