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53975-70-5 molecular structure
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1H,2H,3H-pyrazolo[3,4-c]pyridin-3-one

ChemBase ID: 292334
Molecular Formular: C6H5N3O
Molecular Mass: 135.1234
Monoisotopic Mass: 135.0432618
SMILES and InChIs

SMILES:
O=c1[nH][nH]c2c1ccnc2
Canonical SMILES:
O=c1[nH][nH]c2c1ccnc2
InChI:
InChI=1S/C6H5N3O/c10-6-4-1-2-7-3-5(4)8-9-6/h1-3H,(H2,8,9,10)
InChIKey:
OZMFSEBVEVMFJE-UHFFFAOYSA-N

Cite this record

CBID:292334 http://www.chembase.cn/molecule-292334.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H,2H,3H-pyrazolo[3,4-c]pyridin-3-one
IUPAC Traditional name
1H,2H-pyrazolo[3,4-c]pyridin-3-one
Synonyms
1H-Pyrazolo[3,4-c]pyridin-3(2H)-one
CAS Number
53975-70-5
MDL Number
MFCD09056757
PubChem SID
180677865
PubChem CID
584578

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241124 Please log in.
Data Source Data ID
PubChem 584578 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.466349  H Acceptors
H Donor LogD (pH = 5.5) 0.38448957 
LogD (pH = 7.4) 0.385162  Log P 0.38517094 
Molar Refractivity 36.6021 cm3 Polarizability 12.722668 Å3
Polar Surface Area 54.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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