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6536-18-1 molecular structure
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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 and InChIs

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

Cite this record

CBID:128448 http://www.chembase.cn/molecule-128448.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0428632  LogD (pH = 7.4) 2.6762195 
Log P 3.0248125  Molar Refractivity 112.0515 cm3
Polarizability 43.032776 Å3 Polar Surface Area 36.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Bioassay(PubChem)
Admin Routes
Oral, SC, IM expand Show data source
Legal Status
Rx-only expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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