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329207-48-9 molecular structure
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7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

ChemBase ID: 312616
Molecular Formular: C8H7N3O3
Molecular Mass: 193.15948
Monoisotopic Mass: 193.0487411
SMILES and InChIs

SMILES:
n12c(cc(=O)[nH]2)ncc(c1C)C(=O)O
Canonical SMILES:
OC(=O)c1cnc2n(c1C)[nH]c(=O)c2
InChI:
InChI=1S/C8H7N3O3/c1-4-5(8(13)14)3-9-6-2-7(12)10-11(4)6/h2-3H,1H3,(H,10,12)(H,13,14)
InChIKey:
JCGSRFSMSJIMCI-UHFFFAOYSA-N

Cite this record

CBID:312616 http://www.chembase.cn/molecule-312616.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
IUPAC Traditional name
7-methyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
Synonyms
7-methyl-2-oxo-1,2-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CAS Number
329207-48-9
MDL Number
MFCD20503054

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4334257  LogD (pH = 7.4) -4.060605 
Log P -0.80052596  Molar Refractivity 57.8702 cm3
Polarizability 17.259039 Å3 Polar Surface Area 82.0 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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