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

• ChemBase ID: 863448
• Molecular Formular: C20H32N4O
• Molecular Mass: 344.49428
• Monoisotopic Mass: 344.25761166
• SMILES: c12n(nc(c1)CNC(=O)CC1CCCC1)CCN(C2)C1CCCCC1
• Canonical SMILES: O=C(CC1CCCC1)NCc1nn2c(c1)CN(CC2)C1CCCCC1
• InChI: InChI=1S/C20H32N4O/c25-20(12-16-6-4-5-7-16)21-14-17-13-19-15-23(10-11-24(19)22-17)18-8-2-1-3-9-18/h13,16,18H,1-12,14-15H2,(H,21,25)
• InChIKey: ASLTXIBRNBFSFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.541634
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5801351
• LogD (pH = 7.4): 2.2891078
• Log P: 2.7738714
• Molar Refractivity: 110.9981 cm^3
• Polarizability: 38.90378 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.35
• LOG S: -3.72
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5