(2-methoxyethyl)[(trimethyl-1H-pyrazol-4-yl)methyl]amine

• ChemBase ID: 25076
• Molecular Formular: C10H19N3O
• Molecular Mass: 197.27736
• Monoisotopic Mass: 197.15281224
• SMILES: c1(c(n(nc1C)C)C)CNCCOC
• Canonical SMILES: COCCNCc1c(C)nn(c1C)C
• InChI: InChI=1S/C10H19N3O/c1-8-10(7-11-5-6-14-4)9(2)13(3)12-8/h11H,5-7H2,1-4H3
• InChIKey: KHYLVJPAICJMIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(trimethyl-1H-pyrazol-4-yl)methyl]amine
• IUPAC Traditional name: (2-methoxyethyl)[(trimethylpyrazol-4-yl)methyl]amine
• Synonyms: (2-methoxyethyl)[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amine; N-(2-Methoxyethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amine

Database IDs

• CAS Number: 1015845-58-5
• MDL Number: MFCD08691493
• PubChem SID: 160988383
• PubChem CID: 42281907

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.635927
• LogD (pH = 7.4): -1.0024945
• Log P: 0.24341069
• Molar Refractivity: 68.9941 cm^3
• Polarizability: 22.001133 Å^3
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false