[(1-ethyl-1H-pyrazol-3-yl)methyl](methyl)amine

• ChemBase ID: 308373
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: n1n(ccc1CNC)CC
• Canonical SMILES: CNCc1ccn(n1)CC
• InChI: InChI=1S/C7H13N3/c1-3-10-5-4-7(9-10)6-8-2/h4-5,8H,3,6H2,1-2H3
• InChIKey: BBWULNDJJUENCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethyl-1H-pyrazol-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(1-ethylpyrazol-3-yl)methyl](methyl)amine
• Synonyms: 1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine

Database IDs

• CAS Number: 1002651-65-1
• MDL Number: MFCD03419813

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2704694
• LogD (pH = 7.4): -0.5535994
• Log P: 0.39773455
• Molar Refractivity: 52.4358 cm^3
• Polarizability: 15.943332 Å^3
• Polar Surface Area: 29.85 Å^2