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

• ChemBase ID: 308451
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: n1n(c(c(c1)N)C)CC
• Canonical SMILES: Cc1c(N)cnn1CC
• InChI: InChI=1S/C6H11N3/c1-3-9-5(2)6(7)4-8-9/h4H,3,7H2,1-2H3
• InChIKey: XIIAZKSXQSTSEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1174882-85-9
• MDL Number: MFCD03422573

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.12845579
• LogD (pH = 7.4): 0.12854803
• Log P: 0.1285492
• Molar Refractivity: 49.5601 cm^3
• Polarizability: 13.637988 Å^3
• Polar Surface Area: 43.84 Å^2