1-ethyl-4-methyl-1H-pyrazol-5-amine

• ChemBase ID: 307338
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: c1(c(cnn1CC)C)N
• Canonical SMILES: CCn1ncc(c1N)C
• InChI: InChI=1S/C6H11N3/c1-3-9-6(7)5(2)4-8-9/h4H,3,7H2,1-2H3
• InChIKey: XHWLCRAUUAFQTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-4-methyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-ethyl-4-methylpyrazol-3-amine
• Synonyms: 1-ethyl-4-methyl-1H-pyrazol-5-amine

Database IDs

• CAS Number: 3702-13-4
• MDL Number: MFCD08059943

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.52698463
• LogD (pH = 7.4): 0.5316406
• Log P: 0.53170025
• Molar Refractivity: 48.7049 cm^3
• Polarizability: 13.637293 Å^3
• Polar Surface Area: 43.84 Å^2