1,5-dimethyl-4-[(3-methyl-2-phenylmorpholin-4-yl)methyl]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

• ChemBase ID: 128448
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: O=c1c(c(n(n1c1ccccc1)C)C)CN1C(C(OCC1)c1ccccc1)C
• Canonical SMILES: CC1N(CCOC1c1ccccc1)Cc1c(=O)n(n(c1C)C)c1ccccc1
• InChI: InChI=1S/C23H27N3O2/c1-17-21(23(27)26(24(17)3)20-12-8-5-9-13-20)16-25-14-15-28-22(18(25)2)19-10-6-4-7-11-19/h4-13,18,22H,14-16H2,1-3H3
• InChIKey: OOGNFQMTGRZRAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dimethyl-4-[(3-methyl-2-phenylmorpholin-4-yl)methyl]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
• IUPAC Traditional name: morazone
• Synonyms: Morazone

Database IDs

• CAS Number: 6536-18-1
• PubChem SID: 162222755
• PubChem CID: 39609
• Chemspider ID: 36216
• Unique Ingredient Identifier: 870Q5BL2FN
• Wikipedia Title: Morazone

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0428632
• LogD (pH = 7.4): 2.6762195
• Log P: 3.0248125
• Molar Refractivity: 112.0515 cm^3
• Polarizability: 43.032776 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral, SC, IM
• Legal Status: Rx-only