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1243249-99-1 molecular structure
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6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide

ChemBase ID: 309555
Molecular Formular: C7H5BrN4O
Molecular Mass: 241.0448
Monoisotopic Mass: 239.9646728
SMILES and InChIs

SMILES:
c12c(cnn1cc(cn2)Br)C(=O)N
Canonical SMILES:
Brc1cnc2n(c1)ncc2C(=O)N
InChI:
InChI=1S/C7H5BrN4O/c8-4-1-10-7-5(6(9)13)2-11-12(7)3-4/h1-3H,(H2,9,13)
InChIKey:
OQZSRBNENJIRBN-UHFFFAOYSA-N

Cite this record

CBID:309555 http://www.chembase.cn/molecule-309555.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide
IUPAC Traditional name
6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide
Synonyms
6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Number
1243249-99-1
MDL Number
MFCD17078895

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.27236226  LogD (pH = 7.4) 0.27237022 
Log P 0.27236554  Molar Refractivity 60.4748 cm3
Polarizability 18.315132 Å3 Polar Surface Area 73.28 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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