({5-cyclohexyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)(propan-2-yl)amine

• ChemBase ID: 722432
• Molecular Formular: C16H28N4
• Molecular Mass: 276.42032
• Monoisotopic Mass: 276.23139692
• SMILES: c12n(nc(c1)CNC(C)C)CCN(C2)C1CCCCC1
• Canonical SMILES: CC(NCc1nn2c(c1)CN(CC2)C1CCCCC1)C
• InChI: InChI=1S/C16H28N4/c1-13(2)17-11-14-10-16-12-19(8-9-20(16)18-14)15-6-4-3-5-7-15/h10,13,15,17H,3-9,11-12H2,1-2H3
• InChIKey: CIMQYCGTPPQMJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({5-cyclohexyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)(propan-2-yl)amine
• IUPAC Traditional name: ({5-cyclohexyl-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)(isopropyl)amine
• Synonyms: N-[(5-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.581927
• LogD (pH = 7.4): 0.79650056
• Log P: 2.303453
• Molar Refractivity: 94.32 cm^3
• Polarizability: 32.594696 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.98
• LOG S: -1.9
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 4