4-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]morpholine

• ChemBase ID: 278943
• Molecular Formular: C11H19N3O
• Molecular Mass: 209.28806
• Monoisotopic Mass: 209.15281224
• SMILES: n1(nc(cc1C)C)CCN1CCOCC1
• Canonical SMILES: Cc1nn(c(c1)C)CCN1CCOCC1
• InChI: InChI=1S/C11H19N3O/c1-10-9-11(2)14(12-10)4-3-13-5-7-15-8-6-13/h9H,3-8H2,1-2H3
• InChIKey: AZPGZGOYOJVLIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]morpholine
• IUPAC Traditional name: 4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]morpholine
• Synonyms: 4-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]morpholine

Database IDs

• MDL Number: MFCD19107361
• PubChem SID: 164334853
• PubChem CID: 52141999

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.69146746
• LogD (pH = 7.4): 0.45349395
• Log P: 0.53218144
• Molar Refractivity: 71.7962 cm^3
• Polarizability: 23.118843 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.851

Product Information

• Purity: 95%