methyl[(5-methyl-1H-pyrazol-4-yl)methyl]amine

• ChemBase ID: 309432
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: c1(c([nH]nc1)C)CNC
• Canonical SMILES: CNCc1cn[nH]c1C
• InChI: InChI=1S/C6H11N3/c1-5-6(3-7-2)4-8-9-5/h4,7H,3H2,1-2H3,(H,8,9)
• InChIKey: TYHVEYPFKAWYRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5-methyl-1H-pyrazol-4-yl)methyl]amine
• IUPAC Traditional name: methyl[(3-methyl-2H-pyrazol-4-yl)methyl]amine
• Synonyms: N-methyl-1-(5-methyl-1H-pyrazol-4-yl)methanamine

Database IDs

• MDL Number: MFCD20502400

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0588193
• LogD (pH = 7.4): -1.6926781
• Log P: 0.03533996
• Molar Refractivity: 38.1431 cm^3
• Polarizability: 14.102018 Å^3
• Polar Surface Area: 40.71 Å^2