1,4-dimethyl-1H-pyrazol-5-amine

• ChemBase ID: 307337
• Molecular Formular: C5H9N3
• Molecular Mass: 111.14506
• Monoisotopic Mass: 111.0796473
• SMILES: c1(c(cnn1C)C)N
• Canonical SMILES: Cc1cnn(c1N)C
• InChI: InChI=1S/C5H9N3/c1-4-3-7-8(2)5(4)6/h3H,6H2,1-2H3
• InChIKey: AHTVCDZZGBELIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dimethyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 2,4-dimethylpyrazol-3-amine
• Synonyms: 1,4-dimethyl-1H-pyrazol-5-amine

Database IDs

• CAS Number: 3524-49-0
• MDL Number: MFCD08059942

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.16976304
• LogD (pH = 7.4): 0.17482737
• Log P: 0.17489232
• Molar Refractivity: 43.9563 cm^3
• Polarizability: 11.800089 Å^3
• Polar Surface Area: 43.84 Å^2