N-(propan-2-yl)-3-[5-(3,3,4,4-tetrafluorobutyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

• ChemBase ID: 827051
• Molecular Formular: C16H24F4N4O
• Molecular Mass: 364.3815728
• Monoisotopic Mass: 364.18862429
• SMILES: n12c(cc(n1)CCC(=O)NC(C)C)CN(CCC(C(F)F)(F)F)CC2
• Canonical SMILES: CC(NC(=O)CCc1nn2c(c1)CN(CC2)CCC(C(F)F)(F)F)C
• InChI: InChI=1S/C16H24F4N4O/c1-11(2)21-14(25)4-3-12-9-13-10-23(7-8-24(13)22-12)6-5-16(19,20)15(17)18/h9,11,15H,3-8,10H2,1-2H3,(H,21,25)
• InChIKey: UZSKCORSGDXKAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)-3-[5-(3,3,4,4-tetrafluorobutyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• IUPAC Traditional name: N-isopropyl-3-[5-(3,3,4,4-tetrafluorobutyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• Synonyms: N-isopropyl-3-[5-(3,3,4,4-tetrafluorobutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.536999
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.31461287
• LogD (pH = 7.4): 1.3218358
• Log P: 1.6746098
• Molar Refractivity: 96.4639 cm^3
• Polarizability: 32.125366 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.66
• LOG S: -2.42
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 8