methyl[(5-methyl-1H-pyrazol-3-yl)methyl]amine

• ChemBase ID: 306565
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: n1[nH]c(cc1CNC)C
• Canonical SMILES: CNCc1n[nH]c(c1)C
• InChI: InChI=1S/C6H11N3/c1-5-3-6(4-7-2)9-8-5/h3,7H,4H2,1-2H3,(H,8,9)
• InChIKey: HEWBDSWDDPJBLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 880361-91-1
• MDL Number: MFCD08700716

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.572638
• LogD (pH = 7.4): -0.860504
• Log P: 0.11681185
• Molar Refractivity: 37.6209 cm^3
• Polarizability: 14.102771 Å^3
• Polar Surface Area: 40.71 Å^2