N-(1-{2-benzyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}-1-oxopropan-2-yl)propanamide

• ChemBase ID: 561650
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c12n(nc(c1)Cc1ccccc1)CCN(C(=O)C(NC(=O)CC)C)C2
• Canonical SMILES: CCC(=O)NC(C(=O)N1CCn2c(C1)cc(n2)Cc1ccccc1)C
• InChI: InChI=1S/C19H24N4O2/c1-3-18(24)20-14(2)19(25)22-9-10-23-17(13-22)12-16(21-23)11-15-7-5-4-6-8-15/h4-8,12,14H,3,9-11,13H2,1-2H3,(H,20,24)
• InChIKey: OOQNPTWLJVSBJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{2-benzyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}-1-oxopropan-2-yl)propanamide
• IUPAC Traditional name: N-(1-{2-benzyl-4H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}-1-oxopropan-2-yl)propanamide
• Synonyms: N-[2-(2-benzyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)-1-methyl-2-oxoethyl]propanamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.539699
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4473176
• LogD (pH = 7.4): 1.4475937
• Log P: 1.4476
• Molar Refractivity: 106.9215 cm^3
• Polarizability: 36.752785 Å^3
• Polar Surface Area: 67.23 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: 1.45
• LOG S: -2.92
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5