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

• ChemBase ID: 271407
• Molecular Formular: C10H17N3O
• Molecular Mass: 195.26148
• Monoisotopic Mass: 195.13716218
• SMILES: n1(nc(cc1C)C)CC1OCCNC1
• Canonical SMILES: Cc1cc(nn1CC1CNCCO1)C
• InChI: InChI=1S/C10H17N3O/c1-8-5-9(2)13(12-8)7-10-6-11-3-4-14-10/h5,10-11H,3-4,6-7H2,1-2H3
• InChIKey: OGQYGLMJTYQJDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18483169
• PubChem SID: 164327317
• PubChem CID: 54592635

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5720718
• LogD (pH = 7.4): -0.884784
• Log P: 0.20890057
• Molar Refractivity: 66.1717 cm^3
• Polarizability: 21.279573 Å^3
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.199

Product Information

• Purity: 95%