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2-ethyl-4-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}morpholine

ChemBase ID: 370058
Molecular Formular: C23H27N3O2
Molecular Mass: 377.47938
Monoisotopic Mass: 377.21032712
SMILES and InChIs

SMILES:
c1(c(nn(c1)C)c1ccc(Oc2ccccc2)cc1)CN1CC(OCC1)CC
Canonical SMILES:
CCC1OCCN(C1)Cc1cn(nc1c1ccc(cc1)Oc1ccccc1)C
InChI:
InChI=1S/C23H27N3O2/c1-3-20-17-26(13-14-27-20)16-19-15-25(2)24-23(19)18-9-11-22(12-10-18)28-21-7-5-4-6-8-21/h4-12,15,20H,3,13-14,16-17H2,1-2H3
InChIKey:
CIFUBZCNTZMOAU-UHFFFAOYSA-N

Cite this record

CBID:370058 http://www.chembase.cn/molecule-370058.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethyl-4-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}morpholine
IUPAC Traditional name
2-ethyl-4-{[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl}morpholine
Synonyms
2-ethyl-4-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}morpholine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.8405044  LogD (pH = 7.4) 4.36154 
Log P 4.5964622  Molar Refractivity 122.5264 cm3
Polarizability 44.59165 Å3 Polar Surface Area 39.52 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.75  LOG S -4.15 
Polar Surface Area 39.52 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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