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

• ChemBase ID: 91236
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: n1c(CNC)cc(n1C)C
• Canonical SMILES: CNCc1nn(c(c1)C)C
• InChI: InChI=1S/C7H13N3/c1-6-4-7(5-8-2)9-10(6)3/h4,8H,5H2,1-3H3
• InChIKey: CUUKYAXSSNWKLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1,5-dimethyl-1H-pyrazol-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(1,5-dimethylpyrazol-3-yl)methyl](methyl)amine
• Synonyms: N-[(1,5-Dimethyl-1H-pyrazol-3-yl)methyl]-N-methylamine 97%

Database IDs

• CAS Number: 852227-88-4
• MDL Number: MFCD08060500
• PubChem SID: 162077940
• PubChem CID: 7164548

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4412575
• LogD (pH = 7.4): -0.72732997
• Log P: 0.24048792
• Molar Refractivity: 52.8369 cm^3
• Polarizability: 15.863983 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true