5-ethoxy-3-methyl-1H-pyrazole

• ChemBase ID: 308341
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: n1[nH]c(cc1C)OCC
• Canonical SMILES: CCOc1[nH]nc(c1)C
• InChI: InChI=1S/C6H10N2O/c1-3-9-6-4-5(2)7-8-6/h4H,3H2,1-2H3,(H,7,8)
• InChIKey: HXEKEMXHIRHCED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethoxy-3-methyl-1H-pyrazole
• IUPAC Traditional name: 3-ethoxy-5-methyl-2H-pyrazole
• Synonyms: 5-ethoxy-3-methyl-1H-pyrazole

Database IDs

• CAS Number: 5203-83-8
• MDL Number: MFCD00462233

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6951723
• LogD (pH = 7.4): 0.697117
• Log P: 0.69722766
• Molar Refractivity: 34.802 cm^3
• Polarizability: 13.267141 Å^3
• Polar Surface Area: 37.91 Å^2