[5-(furan-2-yl)-1H-pyrazol-3-yl]methanol

• ChemBase ID: 88988
• Molecular Formular: C8H8N2O2
• Molecular Mass: 164.16132
• Monoisotopic Mass: 164.05857751
• SMILES: o1c(ccc1)c1cc(n[nH]1)CO
• Canonical SMILES: OCc1n[nH]c(c1)c1ccco1
• InChI: InChI=1S/C8H8N2O2/c11-5-6-4-7(10-9-6)8-2-1-3-12-8/h1-4,11H,5H2,(H,9,10)
• InChIKey: NBADTAIDQSLLHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(furan-2-yl)-1H-pyrazol-3-yl]methanol
• IUPAC Traditional name: [5-(furan-2-yl)-1H-pyrazol-3-yl]methanol
• Synonyms: [5-(2-furyl)-1H-pyrazol-3-yl]methanol; [5-(2-Furyl)-1H-pyrazol-4-yl]methanol; 5-(Fur-2-yl)-3-(hydroxymethyl)-1H-pyrazole 97%

Database IDs

• CAS Number: 84978-67-6
• MDL Number: MFCD07368534
• PubChem SID: 162075874
• PubChem CID: 7060534

CALCULATED PROPERTIES

• Acid pKa: 9.938892
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.2190014
• LogD (pH = 7.4): 0.21780175
• Log P: 0.21902506
• Molar Refractivity: 43.4437 cm^3
• Polarizability: 17.408875 Å^3
• Polar Surface Area: 62.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159°C

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 97%