5-(propan-2-yl)-N-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 714747
• Molecular Formular: C17H20N8O
• Molecular Mass: 352.3937
• Monoisotopic Mass: 352.1760073
• SMILES: c1(nn2c(c1)CN(CC2)C(C)C)C(=O)Nc1c(c2nnn[nH]2)cccc1
• Canonical SMILES: CC(N1CCn2c(C1)cc(n2)C(=O)Nc1ccccc1c1nnn[nH]1)C
• InChI: InChI=1S/C17H20N8O/c1-11(2)24-7-8-25-12(10-24)9-15(21-25)17(26)18-14-6-4-3-5-13(14)16-19-22-23-20-16/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,26)(H,19,20,22,23)
• InChIKey: IJYFLHZKXCTDMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(propan-2-yl)-N-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-isopropyl-N-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-isopropyl-N-[2-(1H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.1570706
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.15598507
• LogD (pH = 7.4): -9.119631E-4
• Log P: -0.21150395
• Molar Refractivity: 123.1037 cm^3
• Polarizability: 36.87416 Å^3
• Polar Surface Area: 104.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.17
• LOG S: -2.93
• Polar Surface Area: 104.62 Å^2
• Rotatable Bonds: 4