2-(1-methyl-1H-pyrazol-4-yl)morpholine

• ChemBase ID: 279173
• Molecular Formular: C8H13N3O
• Molecular Mass: 167.20832
• Monoisotopic Mass: 167.10586205
• SMILES: c1(cn(nc1)C)C1OCCNC1
• Canonical SMILES: Cn1ncc(c1)C1CNCCO1
• InChI: InChI=1S/C8H13N3O/c1-11-6-7(4-10-11)8-5-9-2-3-12-8/h4,6,8-9H,2-3,5H2,1H3
• InChIKey: KSBIDPYAPFHSRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methyl-1H-pyrazol-4-yl)morpholine
• IUPAC Traditional name: 2-(1-methylpyrazol-4-yl)morpholine
• Synonyms: 2-(1-methyl-1H-pyrazol-4-yl)morpholine

Database IDs

• MDL Number: MFCD22196666
• PubChem SID: 164335083
• PubChem CID: 71695337

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5711782
• LogD (pH = 7.4): -0.84300923
• Log P: -0.19927868
• Molar Refractivity: 56.9541 cm^3
• Polarizability: 17.75485 Å^3
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.735

Product Information

• Purity: 95%