[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine

• ChemBase ID: 310379
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: c1(c([nH]nc1C)C)CNC
• Canonical SMILES: CNCc1c(C)n[nH]c1C
• InChI: InChI=1S/C7H13N3/c1-5-7(4-8-3)6(2)10-9-5/h8H,4H2,1-3H3,(H,9,10)
• InChIKey: FGGCEAQMRNSHCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 919347-92-5
• MDL Number: MFCD08059259

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9360552
• LogD (pH = 7.4): -1.5883708
• Log P: 0.16671012
• Molar Refractivity: 42.7346 cm^3
• Polarizability: 15.863723 Å^3
• Polar Surface Area: 40.71 Å^2