3-methyl-1H-pyrazole-4,5-diamine

• ChemBase ID: 307775
• Molecular Formular: C4H8N4
• Molecular Mass: 112.13312
• Monoisotopic Mass: 112.07489628
• SMILES: c1(c([nH]nc1C)N)N
• Canonical SMILES: Cc1n[nH]c(c1N)N
• InChI: InChI=1S/C4H8N4/c1-2-3(5)4(6)8-7-2/h5H2,1H3,(H3,6,7,8)
• InChIKey: CERNMDUMVTYODE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1H-pyrazole-4,5-diamine
• IUPAC Traditional name: 5-methyl-2H-pyrazole-3,4-diamine
• Synonyms: 3-methyl-1H-pyrazole-4,5-diamine

Database IDs

• CAS Number: 199340-99-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.573921
• LogD (pH = 7.4): -1.1684719
• Log P: -1.159761
• Molar Refractivity: 32.991 cm^3
• Polarizability: 11.197608 Å^3
• Polar Surface Area: 80.72 Å^2