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

• ChemBase ID: 275939
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: c1(n(nc(c1)CC)C)N
• Canonical SMILES: CCc1nn(c(c1)N)C
• InChI: InChI=1S/C6H11N3/c1-3-5-4-6(7)9(2)8-5/h4H,3,7H2,1-2H3
• InChIKey: QVNYNCBHNRXHTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02255833
• PubChem SID: 164331849
• PubChem CID: 15135782

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4697149
• LogD (pH = 7.4): 0.4930709
• Log P: 0.49337694
• Molar Refractivity: 48.1335 cm^3
• Polarizability: 13.634545 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.27

Product Information

• Purity: 95%