1-ethyl-3-methyl-1H-pyrazol-4-amine

• ChemBase ID: 122276
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: n1c(c(cn1CC)N)C
• Canonical SMILES: CCn1cc(c(n1)C)N
• InChI: InChI=1S/C6H11N3/c1-3-9-4-6(7)5(2)8-9/h4H,3,7H2,1-2H3
• InChIKey: WBEDVSWPSZQPQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 947763-34-0
• MDL Number: MFCD03422572
• PubChem SID: 162216629
• PubChem CID: 6485354

CALCULATED PROPERTIES

• Log P: 0.060358044
• Molar Refractivity: 49.0019 cm^3
• Polarizability: 13.637125 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.059926692
• LogD (pH = 7.4): 0.06035261

PROPERTIES

Product Information

• Purity: min 98%