[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl](methyl)amine

• ChemBase ID: 306855
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: n1(nc(cc1C)C)CCNC
• Canonical SMILES: CNCCn1nc(cc1C)C
• InChI: InChI=1S/C8H15N3/c1-7-6-8(2)11(10-7)5-4-9-3/h6,9H,4-5H2,1-3H3
• InChIKey: FWJJGNBLVKMBKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl](methyl)amine
• IUPAC Traditional name: [2-(3,5-dimethylpyrazol-1-yl)ethyl](methyl)amine
• Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-methylethanamine

Database IDs

• CAS Number: 880361-81-9
• MDL Number: MFCD08144078

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8360453
• LogD (pH = 7.4): -1.937002
• Log P: 0.36763394
• Molar Refractivity: 57.427 cm^3
• Polarizability: 17.628962 Å^3
• Polar Surface Area: 29.85 Å^2