N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-5-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 670740
• Molecular Formular: C15H22N6O3
• Molecular Mass: 334.37358
• Monoisotopic Mass: 334.17533859
• SMILES: c1(nn2c(c1)CN(CC2)C(C)C)C(=O)NCCOc1nonc1C
• Canonical SMILES: CC(N1CCn2c(C1)cc(n2)C(=O)NCCOc1nonc1C)C
• InChI: InChI=1S/C15H22N6O3/c1-10(2)20-5-6-21-12(9-20)8-13(17-21)14(22)16-4-7-23-15-11(3)18-24-19-15/h8,10H,4-7,9H2,1-3H3,(H,16,22)
• InChIKey: COJFMTDKKOGRNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-5-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-isopropyl-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-isopropyl-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.031568
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.6155973
• LogD (pH = 7.4): 0.24688797
• Log P: 0.28325108
• Molar Refractivity: 100.0109 cm^3
• Polarizability: 32.692863 Å^3
• Polar Surface Area: 98.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.58
• LOG S: -2.99
• Polar Surface Area: 98.31 Å^2
• Rotatable Bonds: 6