pyrazolidine

• ChemBase ID: 129190
• Molecular Formular: C3H8N2
• Molecular Mass: 72.10902
• Monoisotopic Mass: 72.06874827
• SMILES: C1CNNC1
• Canonical SMILES: C1CNNC1
• InChI: InChI=1S/C3H8N2/c1-2-4-5-3-1/h4-5H,1-3H2
• InChIKey: USPWKWBDZOARPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazolidine
• IUPAC Traditional name: pyrazolidine
• Synonyms: Pyrazolidine

Database IDs

• CAS Number: 504-70-1
• PubChem SID: 162223487
• PubChem CID: 79033
• Wikipedia Title: Pyrazolidine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.179756
• LogD (pH = 7.4): -0.70899004
• Log P: -0.6980034
• Molar Refractivity: 42.1196 cm^3
• Polarizability: 8.379572 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 10-12 °C
• Boiling Point: 138°C
• Density: 0.9952 g/cm^3 (20 °C)