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2-[4-(quinolin-3-yl)-1H-pyrazol-1-yl]propanamide

ChemBase ID: 460109
Molecular Formular: C15H14N4O
Molecular Mass: 266.29786
Monoisotopic Mass: 266.11676109
SMILES and InChIs

SMILES:
n1(ncc(c1)c1cc2c(nc1)cccc2)C(C(=O)N)C
Canonical SMILES:
CC(n1ncc(c1)c1cnc2c(c1)cccc2)C(=O)N
InChI:
InChI=1S/C15H14N4O/c1-10(15(16)20)19-9-13(8-18-19)12-6-11-4-2-3-5-14(11)17-7-12/h2-10H,1H3,(H2,16,20)
InChIKey:
CGBCXQIVTAQOQO-UHFFFAOYSA-N

Cite this record

CBID:460109 http://www.chembase.cn/molecule-460109.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(quinolin-3-yl)-1H-pyrazol-1-yl]propanamide
IUPAC Traditional name
2-[4-(quinolin-3-yl)pyrazol-1-yl]propanamide
Synonyms
2-(4-quinolin-3-yl-1H-pyrazol-1-yl)propanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 32285997 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 15.764804  H Acceptors
H Donor LogD (pH = 5.5) 1.4360176 
LogD (pH = 7.4) 1.4456663  Log P 1.4457909 
Molar Refractivity 86.4196 cm3 Polarizability 31.482883 Å3
Polar Surface Area 73.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.91  LOG S -1.92 
Polar Surface Area 73.8 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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