[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl](methyl)amine

• ChemBase ID: 16884
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: c1(c(nn(c1)CC)C)CNC
• Canonical SMILES: CNCc1cn(nc1C)CC
• InChI: InChI=1S/C8H15N3/c1-4-11-6-8(5-9-3)7(2)10-11/h6,9H,4-5H2,1-3H3
• InChIKey: UBCBUBZNNWRDQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl](methyl)amine
• IUPAC Traditional name: [(1-ethyl-3-methylpyrazol-4-yl)methyl](methyl)amine
• Synonyms: (1-Ethyl-3-methyl-1H-pyrazol-4-ylmethyl)-methyl-amine; 1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N-methylmethanamine

Database IDs

• CAS Number: 956363-88-5
• MDL Number: MFCD02090913
• PubChem SID: 160980191
• PubChem CID: 6487607

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.634631
• LogD (pH = 7.4): -1.2421559
• Log P: 0.44763282
• Molar Refractivity: 57.5495 cm^3
• Polarizability: 17.704592 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false