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

• ChemBase ID: 40140
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: c1(n(nc(c1)C)CC)N
• Canonical SMILES: CCn1nc(cc1N)C
• InChI: InChI=1S/C6H11N3/c1-3-9-6(7)4-5(2)8-9/h4H,3,7H2,1-2H3
• InChIKey: TZLVUWBGUNVFES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 3524-33-2
• MDL Number: MFCD02255831
• PubChem SID: 162044903
• PubChem CID: 2768383

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.12159412
• LogD (pH = 7.4): 0.14928435
• Log P: 0.14964905
• Molar Refractivity: 48.2552 cm^3
• Polarizability: 13.634734 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 100 °C; 99-100°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%