N-cyclopropyl-3-[5-(2-ethoxyacetyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

• ChemBase ID: 365081
• Molecular Formular: C16H24N4O3
• Molecular Mass: 320.38676
• Monoisotopic Mass: 320.18484065
• SMILES: c12n(nc(c1)CCC(=O)NC1CC1)CCN(C2)C(=O)COCC
• Canonical SMILES: CCOCC(=O)N1CCn2c(C1)cc(n2)CCC(=O)NC1CC1
• InChI: InChI=1S/C16H24N4O3/c1-2-23-11-16(22)19-7-8-20-14(10-19)9-13(18-20)5-6-15(21)17-12-3-4-12/h9,12H,2-8,10-11H2,1H3,(H,17,21)
• InChIKey: ODEGLVNUHAKSJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[5-(2-ethoxyacetyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[5-(2-ethoxyacetyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• Synonyms: N-cyclopropyl-3-[5-(ethoxyacetyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.183002
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6609574
• LogD (pH = 7.4): -0.6609101
• Log P: -0.66090953
• Molar Refractivity: 96.3007 cm^3
• Polarizability: 32.777626 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.09
• LOG S: -1.92
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 7