2-benzyl-5-cyclopentanecarbonyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine

• ChemBase ID: 611380
• Molecular Formular: C19H23N3O
• Molecular Mass: 309.40542
• Monoisotopic Mass: 309.18411237
• SMILES: c12n(nc(c1)Cc1ccccc1)CCN(C(=O)C1CCCC1)C2
• Canonical SMILES: O=C(N1CCn2c(C1)cc(n2)Cc1ccccc1)C1CCCC1
• InChI: InChI=1S/C19H23N3O/c23-19(16-8-4-5-9-16)21-10-11-22-18(14-21)13-17(20-22)12-15-6-2-1-3-7-15/h1-3,6-7,13,16H,4-5,8-12,14H2
• InChIKey: XTFWQZGTJFCYAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-5-cyclopentanecarbonyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine
• IUPAC Traditional name: 2-benzyl-5-cyclopentanecarbonyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine
• Synonyms: 2-benzyl-5-(cyclopentylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.952234
• LogD (pH = 7.4): 2.9525132
• Log P: 2.9525168
• Molar Refractivity: 101.5984 cm^3
• Polarizability: 34.811985 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.75
• LOG S: -3.81
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 3