2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine

• ChemBase ID: 307932
• Molecular Formular: C7H13N3O
• Molecular Mass: 155.19762
• Monoisotopic Mass: 155.10586205
• SMILES: c1(n(ncc1)C)C(N)COC
• Canonical SMILES: COCC(c1ccnn1C)N
• InChI: InChI=1S/C7H13N3O/c1-10-7(3-4-9-10)6(8)5-11-2/h3-4,6H,5,8H2,1-2H3
• InChIKey: GVXSNDGQVGYILF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine
• IUPAC Traditional name: 2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine
• Synonyms: 2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethanamine

Database IDs

• CAS Number: 1177284-86-4
• MDL Number: MFCD09864443

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.154151
• LogD (pH = 7.4): -1.5070665
• Log P: -0.54033303
• Molar Refractivity: 54.026 cm^3
• Polarizability: 16.641827 Å^3
• Polar Surface Area: 53.07 Å^2