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1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
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ChemBase ID:
309630
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Molecular Formular:
C8H11N3O2
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Molecular Mass:
181.19184
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Monoisotopic Mass:
181.08512661
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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
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Cite this record
CBID:309630 http://www.chembase.cn/molecule-309630.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
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IUPAC Traditional name
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1-methyl-4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
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Synonyms
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1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-2.7383409
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LogD (pH = 7.4)
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-2.7567225
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Log P
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-2.7381847
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Molar Refractivity
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58.3911 cm3
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Polarizability
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17.54281 Å3
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Polar Surface Area
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67.15 Å2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent