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N-propyl-2-{4-[3-(thiophen-3-yl)-1H-pyrazole-5-carbonyl]morpholin-3-yl}acetamide

ChemBase ID: 320568
Molecular Formular: C17H22N4O3S
Molecular Mass: 362.44658
Monoisotopic Mass: 362.14126158
SMILES and InChIs

SMILES:
c1(C(=O)N2C(CC(=O)NCCC)COCC2)cc(n[nH]1)c1cscc1
Canonical SMILES:
CCCNC(=O)CC1COCCN1C(=O)c1[nH]nc(c1)c1cscc1
InChI:
InChI=1S/C17H22N4O3S/c1-2-4-18-16(22)8-13-10-24-6-5-21(13)17(23)15-9-14(19-20-15)12-3-7-25-11-12/h3,7,9,11,13H,2,4-6,8,10H2,1H3,(H,18,22)(H,19,20)
InChIKey:
KDHFOKGKSKGKID-UHFFFAOYSA-N

Cite this record

CBID:320568 http://www.chembase.cn/molecule-320568.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-propyl-2-{4-[3-(thiophen-3-yl)-1H-pyrazole-5-carbonyl]morpholin-3-yl}acetamide
IUPAC Traditional name
N-propyl-2-{4-[5-(thiophen-3-yl)-2H-pyrazole-3-carbonyl]morpholin-3-yl}acetamide
Synonyms
N-propyl-2-(4-{[3-(3-thienyl)-1H-pyrazol-5-yl]carbonyl}-3-morpholinyl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11025498 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 9.233123  H Acceptors
H Donor LogD (pH = 5.5) 1.1611764 
LogD (pH = 7.4) 1.1550919  Log P 1.1612675 
Molar Refractivity 95.8849 cm3 Polarizability 37.364563 Å3
Polar Surface Area 87.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.63  LOG S -2.62 
Polar Surface Area 87.32 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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