1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole

• ChemBase ID: 282692
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: n1(nc(cc1C)C)CCOC
• Canonical SMILES: COCCn1nc(cc1C)C
• InChI: InChI=1S/C8H14N2O/c1-7-6-8(2)10(9-7)4-5-11-3/h6H,4-5H2,1-3H3
• InChIKey: DZZHQBNWJSQQCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole
• IUPAC Traditional name: 1-(2-methoxyethyl)-3,5-dimethylpyrazole
• Synonyms: 1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole

Database IDs

• MDL Number: MFCD18889234
• PubChem SID: 180668223
• PubChem CID: 21014234

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6821464
• LogD (pH = 7.4): 0.68502504
• Log P: 0.6850619
• Molar Refractivity: 55.7461 cm^3
• Polarizability: 16.797852 Å^3
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.86

Product Information

• Purity: 95%