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1-(morpholin-4-yl)-3-{2-[3-(1H-pyrazol-3-yl)phenyl]phenoxy}propan-2-ol

ChemBase ID: 510130
Molecular Formular: C22H25N3O3
Molecular Mass: 379.4522
Monoisotopic Mass: 379.18959168
SMILES and InChIs

SMILES:
n1c(c2cc(c3c(OCC(CN4CCOCC4)O)cccc3)ccc2)cc[nH]1
Canonical SMILES:
OC(CN1CCOCC1)COc1ccccc1c1cccc(c1)c1n[nH]cc1
InChI:
InChI=1S/C22H25N3O3/c26-19(15-25-10-12-27-13-11-25)16-28-22-7-2-1-6-20(22)17-4-3-5-18(14-17)21-8-9-23-24-21/h1-9,14,19,26H,10-13,15-16H2,(H,23,24)
InChIKey:
WDOUCRRHAIVHGG-UHFFFAOYSA-N

Cite this record

CBID:510130 http://www.chembase.cn/molecule-510130.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(morpholin-4-yl)-3-{2-[3-(1H-pyrazol-3-yl)phenyl]phenoxy}propan-2-ol
IUPAC Traditional name
1-(morpholin-4-yl)-3-{2-[3-(1H-pyrazol-3-yl)phenyl]phenoxy}propan-2-ol
Synonyms
1-(4-morpholinyl)-3-{[3'-(1H-pyrazol-3-yl)-2-biphenylyl]oxy}-2-propanol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40477543 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.004794  H Acceptors
H Donor LogD (pH = 5.5) 1.7085621 
LogD (pH = 7.4) 2.8841226  Log P 2.9698687 
Molar Refractivity 109.1651 cm3 Polarizability 44.754726 Å3
Polar Surface Area 70.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.85  LOG S -3.39 
Polar Surface Area 70.61 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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