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1256643-10-3 molecular structure
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1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

ChemBase ID: 309630
Molecular Formular: C8H11N3O2
Molecular Mass: 181.19184
Monoisotopic Mass: 181.08512661
SMILES and InChIs

SMILES:
c1(c2c(n(n1)C)CCNC2)C(=O)O
Canonical SMILES:
OC(=O)c1nn(c2c1CNCC2)C
InChI:
InChI=1S/C8H11N3O2/c1-11-6-2-3-9-4-5(6)7(10-11)8(12)13/h9H,2-4H2,1H3,(H,12,13)
InChIKey:
OBPGLHYECZFZNH-UHFFFAOYSA-N

Cite this record

CBID:309630 http://www.chembase.cn/molecule-309630.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
IUPAC Traditional name
1-methyl-4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
Synonyms
1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CAS Number
1256643-10-3
MDL Number
MFCD18381941

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) -2.7383409  LogD (pH = 7.4) -2.7567225 
Log P -2.7381847  Molar Refractivity 58.3911 cm3
Polarizability 17.54281 Å3 Polar Surface Area 67.15 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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