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

• ChemBase ID: 144340
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: CCNCc1cnn(c1)C
• Canonical SMILES: CCNCc1cnn(c1)C
• InChI: InChI=1S/C7H13N3/c1-3-8-4-7-5-9-10(2)6-7/h5-6,8H,3-4H2,1-2H3
• InChIKey: WODLNVYLYQXAOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 949095-17-4
• MDL Number: MFCD08700724
• PubChem SID: 162238555
• PubChem CID: 23005743

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.783843
• LogD (pH = 7.4): -1.4318871
• Log P: 0.31626266
• Molar Refractivity: 52.958 cm^3
• Polarizability: 15.942583 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H13N3

DETAILS

Sigma Aldrich - CBR01091

Analysis Note
may contain up to 0.5 eq carbonate
Other Notes
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Legal Information
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