1-ethyl-1H-pyrazol-3-amine

• ChemBase ID: 18368
• Molecular Formular: C5H9N3
• Molecular Mass: 111.14506
• Monoisotopic Mass: 111.0796473
• SMILES: n1c(ccn1CC)N
• Canonical SMILES: CCn1ccc(n1)N
• InChI: InChI=1S/C5H9N3/c1-2-8-4-3-5(6)7-8/h3-4H,2H2,1H3,(H2,6,7)
• InChIKey: PZJGLURDALTFPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-1H-pyrazol-3-amine
• IUPAC Traditional name: 1-ethylpyrazol-3-amine
• Synonyms: 1-Ethyl-1H-pyrazol-3-ylamine; 1-ethyl-1H-pyrazol-3-amine

Database IDs

• CAS Number: 55361-49-4
• MDL Number: MFCD03422571
• PubChem SID: 160981675
• PubChem CID: 12198109

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.51681185
• LogD (pH = 7.4): 0.52336127
• Log P: 0.5234454
• Molar Refractivity: 44.7239 cm^3
• Polarizability: 11.870077 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false