N2-phenyl-N5-propyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxamide

• ChemBase ID: 846206
• Molecular Formular: C17H21N5O2
• Molecular Mass: 327.38094
• Monoisotopic Mass: 327.16952494
• SMILES: c1(nn2c(c1)CN(C(=O)NCCC)CC2)C(=O)Nc1ccccc1
• Canonical SMILES: CCCNC(=O)N1CCn2c(C1)cc(n2)C(=O)Nc1ccccc1
• InChI: InChI=1S/C17H21N5O2/c1-2-8-18-17(24)21-9-10-22-14(12-21)11-15(20-22)16(23)19-13-6-4-3-5-7-13/h3-7,11H,2,8-10,12H2,1H3,(H,18,24)(H,19,23)
• InChIKey: OYOMWCUTRMOKLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2-phenyl-N5-propyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxamide
• IUPAC Traditional name: N2-phenyl-N5-propyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxamide
• Synonyms: N~2~-phenyl-N~5~-propyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.544762
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5650686
• LogD (pH = 7.4): 1.5650662
• Log P: 1.5650692
• Molar Refractivity: 103.6913 cm^3
• Polarizability: 34.278828 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.72
• LOG S: -3.06
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 4