ethyl[2-(1H-pyrazol-1-yl)ethyl]amine

• ChemBase ID: 307094
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: n1(nccc1)CCNCC
• Canonical SMILES: CCNCCn1cccn1
• InChI: InChI=1S/C7H13N3/c1-2-8-5-7-10-6-3-4-9-10/h3-4,6,8H,2,5,7H2,1H3
• InChIKey: WGXJFYMKBJEBEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[2-(1H-pyrazol-1-yl)ethyl]amine
• IUPAC Traditional name: ethyl[2-(pyrazol-1-yl)ethyl]amine
• Synonyms: N-ethyl-2-(1H-pyrazol-1-yl)ethanamine

Database IDs

• CAS Number: 340967-02-4
• MDL Number: MFCD09864293

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8153121
• LogD (pH = 7.4): -1.9849874
• Log P: 0.3935104
• Molar Refractivity: 52.4344 cm^3
• Polarizability: 15.946541 Å^3
• Polar Surface Area: 29.85 Å^2