3-(1H-pyrazol-1-yl)piperidine

• ChemBase ID: 268277
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1(nccc1)C1CNCCC1
• Canonical SMILES: C1CCC(CN1)n1cccn1
• InChI: InChI=1S/C8H13N3/c1-3-8(7-9-4-1)11-6-2-5-10-11/h2,5-6,8-9H,1,3-4,7H2
• InChIKey: OVEZWSXZQCHUEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1H-pyrazol-1-yl)piperidine
• IUPAC Traditional name: 3-(pyrazol-1-yl)piperidine
• Synonyms: 3-(1H-pyrazol-1-yl)piperidine

Database IDs

• MDL Number: MFCD14632030
• PubChem SID: 164324187
• PubChem CID: 47003266

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6970344
• LogD (pH = 7.4): -1.7765493
• Log P: 0.502267
• Molar Refractivity: 54.897 cm^3
• Polarizability: 17.058685 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.388

Product Information

• Purity: 95%