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3-cyclopropyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
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ChemBase ID:
308876
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Molecular Formular:
C9H13N3
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Molecular Mass:
163.21962
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Monoisotopic Mass:
163.11094743
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SMILES and InChIs
SMILES:
c12c(n[nH]c1CCNC2)C1CC1
Canonical SMILES:
N1CCc2c(C1)c(n[nH]2)C1CC1
InChI:
InChI=1S/C9H13N3/c1-2-6(1)9-7-5-10-4-3-8(7)11-12-9/h6,10H,1-5H2,(H,11,12)
InChIKey:
QFSDVWUHQCGZAF-UHFFFAOYSA-N
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Cite this record
CBID:308876 http://www.chembase.cn/molecule-308876.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-cyclopropyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
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IUPAC Traditional name
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3-cyclopropyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
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Synonyms
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3-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
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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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2
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H Donor
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2
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LogD (pH = 5.5)
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-2.4358304
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LogD (pH = 7.4)
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-0.8274038
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Log P
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0.4781332
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Molar Refractivity
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48.2816 cm3
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Polarizability
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18.087711 Å3
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Polar Surface Area
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40.71 Å2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent