5-(3-cyclopropyl-1H-pyrazole-4-carbonyl)-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 475341
• Molecular Formular: C20H20N6O2
• Molecular Mass: 376.4118
• Monoisotopic Mass: 376.16477391
• SMILES: c1(C(=O)N2Cc3n(nc(c3)C(=O)Nc3ccccc3)CC2)c(n[nH]c1)C1CC1
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)C(=O)c1c[nH]nc1C1CC1)Nc1ccccc1
• InChI: InChI=1S/C20H20N6O2/c27-19(22-14-4-2-1-3-5-14)17-10-15-12-25(8-9-26(15)24-17)20(28)16-11-21-23-18(16)13-6-7-13/h1-5,10-11,13H,6-9,12H2,(H,21,23)(H,22,27)
• InChIKey: BQIHNRKABXGQBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.13949
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8650221
• LogD (pH = 7.4): 1.8650533
• Log P: 1.8651332
• Molar Refractivity: 117.1939 cm^3
• Polarizability: 38.5407 Å^3
• Polar Surface Area: 95.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.65
• LOG S: -3.36
• Polar Surface Area: 95.91 Å^2
• Rotatable Bonds: 4