N-(9H-fluoren-9-yl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 856973
• Molecular Formular: C21H20N4O
• Molecular Mass: 344.4097
• Monoisotopic Mass: 344.16371128
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)NC1c2c(c3c1cccc3)cccc2
• Canonical SMILES: CN1CCn2c(C1)cc(n2)C(=O)NC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C21H20N4O/c1-24-10-11-25-14(13-24)12-19(23-25)21(26)22-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-9,12,20H,10-11,13H2,1H3,(H,22,26)
• InChIKey: JIKPMUWWZKAYQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(9H-fluoren-9-yl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-(9H-fluoren-9-yl)-5-methyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-9H-fluoren-9-yl-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.633082
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2456498
• LogD (pH = 7.4): 2.7226167
• Log P: 2.7338383
• Molar Refractivity: 112.9893 cm^3
• Polarizability: 39.7264 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.68
• LOG S: -5.11
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 2