5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 370002
• Molecular Formular: C20H19N5O3
• Molecular Mass: 377.39656
• Monoisotopic Mass: 377.14878949
• SMILES: c1(C(=O)N2Cc3n(nc(c3)C(=O)Nc3ccccc3)CC2)c(C2CC2)onc1
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)C(=O)c1cnoc1C1CC1)Nc1ccccc1
• InChI: InChI=1S/C20H19N5O3/c26-19(22-14-4-2-1-3-5-14)17-10-15-12-24(8-9-25(15)23-17)20(27)16-11-21-28-18(16)13-6-7-13/h1-5,10-11,13H,6-9,12H2,(H,22,26)
• InChIKey: LYLVMMPUVPIPTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-N-phenyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-[(5-cyclopropylisoxazol-4-yl)carbonyl]-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.548348
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6376579
• LogD (pH = 7.4): 1.6376559
• Log P: 1.6376587
• Molar Refractivity: 115.3009 cm^3
• Polarizability: 37.745453 Å^3
• Polar Surface Area: 93.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.41
• LOG S: -3.16
• Polar Surface Area: 93.26 Å^2
• Rotatable Bonds: 4