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

• ChemBase ID: 25112
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: n1n(cc(c1)CNCC)CC
• Canonical SMILES: CCNCc1cnn(c1)CC
• InChI: InChI=1S/C8H15N3/c1-3-9-5-8-6-10-11(4-2)7-8/h6-7,9H,3-5H2,1-2H3
• InChIKey: FZZKADOEHOISDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(1-ethyl-1H-pyrazol-4-yl)methyl]amine
• IUPAC Traditional name: ethyl[(1-ethylpyrazol-4-yl)methyl]amine
• Synonyms: N-((1-ethyl-1H-pyrazol-4-yl)methyl)ethanamine; N-[(1-Ethyl-1H-pyrazol-4-yl)methyl]ethanamine

Database IDs

• MDL Number: MFCD08691484
• PubChem SID: 160988419
• PubChem CID: 16394860

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4263687
• LogD (pH = 7.4): -1.0728132
• Log P: 0.6730706
• Molar Refractivity: 57.7066 cm^3
• Polarizability: 17.785803 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false