methyl[2-(4-methyl-1H-pyrazol-1-yl)ethyl]amine

• ChemBase ID: 308247
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: n1n(cc(c1)C)CCNC
• Canonical SMILES: CNCCn1ncc(c1)C
• InChI: InChI=1S/C7H13N3/c1-7-5-9-10(6-7)4-3-8-2/h5-6,8H,3-4H2,1-2H3
• InChIKey: SKEYOVWQNNDJMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(4-methyl-1H-pyrazol-1-yl)ethyl]amine
• IUPAC Traditional name: methyl[2-(4-methylpyrazol-1-yl)ethyl]amine
• Synonyms: N-methyl-2-(4-methyl-1H-pyrazol-1-yl)ethanamine

Database IDs

• CAS Number: 1177297-64-1
• MDL Number: MFCD11505287

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6548293
• LogD (pH = 7.4): -1.785353
• Log P: 0.5501239
• Molar Refractivity: 52.727 cm^3
• Polarizability: 15.86835 Å^3
• Polar Surface Area: 29.85 Å^2