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N-(1-methyl-1H-pyrazol-5-yl)-2-[4-(quinolin-2-yl)-1H-pyrazol-1-yl]acetamide

ChemBase ID: 322797
Molecular Formular: C18H16N6O
Molecular Mass: 332.35924
Monoisotopic Mass: 332.13855916
SMILES and InChIs

SMILES:
c1(cn(nc1)CC(=O)Nc1n(ncc1)C)c1nc2c(cc1)cccc2
Canonical SMILES:
O=C(Nc1ccnn1C)Cn1ncc(c1)c1ccc2c(n1)cccc2
InChI:
InChI=1S/C18H16N6O/c1-23-17(8-9-19-23)22-18(25)12-24-11-14(10-20-24)16-7-6-13-4-2-3-5-15(13)21-16/h2-11H,12H2,1H3,(H,22,25)
InChIKey:
CZHVMZKECREMCN-UHFFFAOYSA-N

Cite this record

CBID:322797 http://www.chembase.cn/molecule-322797.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1-methyl-1H-pyrazol-5-yl)-2-[4-(quinolin-2-yl)-1H-pyrazol-1-yl]acetamide
IUPAC Traditional name
N-(2-methylpyrazol-3-yl)-2-[4-(quinolin-2-yl)pyrazol-1-yl]acetamide
Synonyms
N-(1-methyl-1H-pyrazol-5-yl)-2-(4-quinolin-2-yl-1H-pyrazol-1-yl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11341711 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 13.077239  H Acceptors
H Donor LogD (pH = 5.5) 2.019743 
LogD (pH = 7.4) 2.0212524  Log P 2.0212724 
Molar Refractivity 116.1655 cm3 Polarizability 37.76796 Å3
Polar Surface Area 77.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.92  LOG S -3.27 
Polar Surface Area 77.63 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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