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2-{2-benzyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}-N-methyl-N-phenylacetamide

ChemBase ID: 865808
Molecular Formular: C22H24N4O
Molecular Mass: 360.45216
Monoisotopic Mass: 360.19501141
SMILES and InChIs

SMILES:
n12c(cc(n1)Cc1ccccc1)CN(CC(=O)N(c1ccccc1)C)CC2
Canonical SMILES:
CN(c1ccccc1)C(=O)CN1CCn2c(C1)cc(n2)Cc1ccccc1
InChI:
InChI=1S/C22H24N4O/c1-24(20-10-6-3-7-11-20)22(27)17-25-12-13-26-21(16-25)15-19(23-26)14-18-8-4-2-5-9-18/h2-11,15H,12-14,16-17H2,1H3
InChIKey:
WNPIILZDPBWNIR-UHFFFAOYSA-N

Cite this record

CBID:865808 http://www.chembase.cn/molecule-865808.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{2-benzyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}-N-methyl-N-phenylacetamide
IUPAC Traditional name
2-{2-benzyl-4H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}-N-methyl-N-phenylacetamide
Synonyms
2-(2-benzyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)-N-methyl-N-phenylacetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 66743022 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 17.564255  H Acceptors
H Donor LogD (pH = 5.5) 2.665774 
LogD (pH = 7.4) 2.830479  Log P 2.83304 
Molar Refractivity 118.2038 cm3 Polarizability 41.055515 Å3
Polar Surface Area 41.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.99  LOG S -4.38 
Polar Surface Area 41.37 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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