3-{5-ethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1-(pyrrolidin-1-yl)propan-1-one

• ChemBase ID: 699030
• Molecular Formular: C15H24N4O
• Molecular Mass: 276.37726
• Monoisotopic Mass: 276.19501141
• SMILES: n12c(cc(n1)CCC(=O)N1CCCC1)CN(CC2)CC
• Canonical SMILES: CCN1CCn2c(C1)cc(n2)CCC(=O)N1CCCC1
• InChI: InChI=1S/C15H24N4O/c1-2-17-9-10-19-14(12-17)11-13(16-19)5-6-15(20)18-7-3-4-8-18/h11H,2-10,12H2,1H3
• InChIKey: OJFVPXGGMLTFQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-ethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1-(pyrrolidin-1-yl)propan-1-one
• IUPAC Traditional name: 3-{5-ethyl-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1-(pyrrolidin-1-yl)propan-1-one
• Synonyms: 5-ethyl-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.2347512
• LogD (pH = 7.4): -0.4614082
• Log P: 0.45022666
• Molar Refractivity: 90.8026 cm^3
• Polarizability: 30.428143 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.44
• LOG S: -1.59
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4