1-(2-methoxyethyl)-1H-pyrazole

• ChemBase ID: 241171
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: n1(nccc1)CCOC
• Canonical SMILES: COCCn1cccn1
• InChI: InChI=1S/C6H10N2O/c1-9-6-5-8-4-2-3-7-8/h2-4H,5-6H2,1H3
• InChIKey: QDGMFMHIAQBDMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-1H-pyrazole
• IUPAC Traditional name: 1-(2-methoxyethyl)pyrazole
• Synonyms: 1-(2-methoxyethyl)-1H-pyrazole

Database IDs

• MDL Number: MFCD18889154
• PubChem SID: 164297081
• PubChem CID: 21859716

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.35400048
• LogD (pH = 7.4): 0.35412872
• Log P: 0.35413036
• Molar Refractivity: 46.0049 cm^3
• Polarizability: 13.280186 Å^3
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.322

Product Information

• Purity: 95%