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1177345-48-0 molecular structure
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3-cyclopropyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

ChemBase ID: 308876
Molecular Formular: C9H13N3
Molecular Mass: 163.21962
Monoisotopic Mass: 163.11094743
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

Cite this record

CBID:308876 http://www.chembase.cn/molecule-308876.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-cyclopropyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
IUPAC Traditional name
3-cyclopropyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
Synonyms
3-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CAS Number
1177345-48-0
MDL Number
MFCD11505347

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4358304  LogD (pH = 7.4) -0.8274038 
Log P 0.4781332  Molar Refractivity 48.2816 cm3
Polarizability 18.087711 Å3 Polar Surface Area 40.71 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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