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N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

ChemBase ID: 341678
Molecular Formular: C16H27N5O2
Molecular Mass: 321.41788
Monoisotopic Mass: 321.21647513
SMILES and InChIs

SMILES:
c1(nn2c(c1)CN(CC2)C1CCOCC1)C(=O)NCCN(C)C
Canonical SMILES:
CN(CCNC(=O)c1nn2c(c1)CN(CC2)C1CCOCC1)C
InChI:
InChI=1S/C16H27N5O2/c1-19(2)6-5-17-16(22)15-11-14-12-20(7-8-21(14)18-15)13-3-9-23-10-4-13/h11,13H,3-10,12H2,1-2H3,(H,17,22)
InChIKey:
VCZSWBKQGPSMOW-UHFFFAOYSA-N

Cite this record

CBID:341678 http://www.chembase.cn/molecule-341678.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
IUPAC Traditional name
N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
Synonyms
N-[2-(dimethylamino)ethyl]-5-(tetrahydro-2H-pyran-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14052909 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)
Polarizability 34.3001 Å3 Polar Surface Area 62.63 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 14.045848  H Acceptors
H Donor LogD (pH = 5.5) -4.5295715 
LogD (pH = 7.4) -1.6784439  Log P -0.46902388 
Molar Refractivity 101.5103 cm3
Polar Surface Area 62.63 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 0.1  LOG S -2.94 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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