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

• ChemBase ID: 297732
• Molecular Formular: C5H10ClN3
• Molecular Mass: 147.606
• Monoisotopic Mass: 147.05632502
• SMILES: CCc1cc(n[nH]1)N.Cl
• Canonical SMILES: CCc1cc(n[nH]1)N.Cl
• InChI: InChI=1S/C5H9N3.ClH/c1-2-4-3-5(6)8-7-4;/h3H,2H2,1H3,(H3,6,7,8);1H
• InChIKey: UXXRQTUGVMELDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-1H-pyrazol-3-amine hydrochloride
• IUPAC Traditional name: 5-ethyl-1H-pyrazol-3-amine hydrochloride
• Synonyms: 5-Ethyl-1H-pyrazol-3-amine hydrochloride; 3-Amino-5-ethyl-1H-pyrazole hydrochloride; 3-氨基-5-乙基-1H-吡唑盐酸盐

Database IDs

• MDL Number: MFCD11111022
• PubChem SID: 180683263
• PubChem CID: 42614221

CALCULATED PROPERTIES

• Acid pKa: 16.215223
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.74009407
• LogD (pH = 7.4): 0.76472193
• Log P: 0.7650451
• Molar Refractivity: 34.433 cm^3
• Polarizability: 11.871538 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A