N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}-2-(2,2,3,3-tetrafluoropropoxy)acetamide

• ChemBase ID: 572020
• Molecular Formular: C12H16F4N4O2
• Molecular Mass: 324.2746528
• Monoisotopic Mass: 324.12093865
• SMILES: n12nc(cc1CNCC2)CNC(=O)COCC(C(F)F)(F)F
• Canonical SMILES: O=C(NCc1nn2c(c1)CNCC2)COCC(C(F)F)(F)F
• InChI: InChI=1S/C12H16F4N4O2/c13-11(14)12(15,16)7-22-6-10(21)18-4-8-3-9-5-17-1-2-20(9)19-8/h3,11,17H,1-2,4-7H2,(H,18,21)
• InChIKey: OFXFYQYHGCWXBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}-2-(2,2,3,3-tetrafluoropropoxy)acetamide
• IUPAC Traditional name: N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}-2-(2,2,3,3-tetrafluoropropoxy)acetamide
• Synonyms: 2-(2,2,3,3-tetrafluoropropoxy)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.185423
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.3680468
• LogD (pH = 7.4): -0.69981515
• Log P: -0.27312526
• Molar Refractivity: 79.1947 cm^3
• Polarizability: 25.724726 Å^3
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.84
• LOG S: -2.16
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 7