2-[2-(1H-pyrazol-1-yl)ethoxy]ethan-1-ol

• ChemBase ID: 270123
• Molecular Formular: C7H12N2O2
• Molecular Mass: 156.18238
• Monoisotopic Mass: 156.08987763
• SMILES: n1(nccc1)CCOCCO
• Canonical SMILES: OCCOCCn1cccn1
• InChI: InChI=1S/C7H12N2O2/c10-5-7-11-6-4-9-3-1-2-8-9/h1-3,10H,4-7H2
• InChIKey: HAMPMHTUXQNKOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(1H-pyrazol-1-yl)ethoxy]ethan-1-ol
• IUPAC Traditional name: 2-[2-(pyrazol-1-yl)ethoxy]ethanol
• Synonyms: 2-[2-(1H-pyrazol-1-yl)ethoxy]ethan-1-ol

Database IDs

• MDL Number: MFCD12785459
• PubChem SID: 164326033
• PubChem CID: 50990682

CALCULATED PROPERTIES

• Acid pKa: 15.121204
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.33610153
• LogD (pH = 7.4): -0.3359733
• Log P: -0.33597165
• Molar Refractivity: 52.2972 cm^3
• Polarizability: 15.768856 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.376

Product Information

• Purity: 95%