[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amine

• ChemBase ID: 310450
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: c1(c([nH]nc1C)C)C(NC)C
• Canonical SMILES: CNC(c1c(C)n[nH]c1C)C
• InChI: InChI=1S/C8H15N3/c1-5(9-4)8-6(2)10-11-7(8)3/h5,9H,1-4H3,(H,10,11)
• InChIKey: VWOMTZAEIFHESG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amine
• IUPAC Traditional name: [1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amine
• Synonyms: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine

Database IDs

• MDL Number: MFCD08060070

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5398347
• LogD (pH = 7.4): -1.2469361
• Log P: 0.58328515
• Molar Refractivity: 47.1534 cm^3
• Polarizability: 17.706354 Å^3
• Polar Surface Area: 40.71 Å^2