4,4,6,6-tetramethyl-1H,4H,6H-furo[3,4-c]pyrazole

• ChemBase ID: 309782
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: c12c(C(OC1(C)C)(C)C)[nH]nc2
• Canonical SMILES: CC1(C)OC(c2c1[nH]nc2)(C)C
• InChI: InChI=1S/C9H14N2O/c1-8(2)6-5-10-11-7(6)9(3,4)12-8/h5H,1-4H3,(H,10,11)
• InChIKey: FKRQNABYJJVSIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,6,6-tetramethyl-1H,4H,6H-furo[3,4-c]pyrazole
• IUPAC Traditional name: 4,4,6,6-tetramethyl-1H-furo[3,4-c]pyrazole
• Synonyms: 4,4,6,6-tetramethyl-4,6-dihydro-1H-furo[3,4-c]pyrazole

Database IDs

• MDL Number: MFCD20502934

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2186861
• LogD (pH = 7.4): 1.218609
• Log P: 1.2187383
• Molar Refractivity: 47.8586 cm^3
• Polarizability: 18.137741 Å^3
• Polar Surface Area: 37.91 Å^2