1-cyclohexyl-4-({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)piperazine

• ChemBase ID: 449401
• Molecular Formular: C19H29N5
• Molecular Mass: 327.46706
• Monoisotopic Mass: 327.24229595
• SMILES: c12n(ncc1CN1CCN(CC1)C1CCCCC1)c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)c(cn2)CN1CCN(CC1)C1CCCCC1
• InChI: InChI=1S/C19H29N5/c1-15-12-16(2)24-19(21-15)17(13-20-24)14-22-8-10-23(11-9-22)18-6-4-3-5-7-18/h12-13,18H,3-11,14H2,1-2H3
• InChIKey: AIVDEDUGRAKQTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-4-({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)piperazine
• IUPAC Traditional name: 1-cyclohexyl-4-({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)piperazine
• Synonyms: 3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.71052694
• LogD (pH = 7.4): 0.7893181
• Log P: 2.571691
• Molar Refractivity: 109.1218 cm^3
• Polarizability: 37.7681 Å^3
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.0
• LOG S: -2.29
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 3