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1177284-02-4 molecular structure
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3-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

ChemBase ID: 308875
Molecular Formular: C9H15N3
Molecular Mass: 165.2355
Monoisotopic Mass: 165.1265975
SMILES and InChIs

SMILES:
c12c(n[nH]c1CCNC2)C(C)C
Canonical SMILES:
CC(c1n[nH]c2c1CNCC2)C
InChI:
InChI=1S/C9H15N3/c1-6(2)9-7-5-10-4-3-8(7)11-12-9/h6,10H,3-5H2,1-2H3,(H,11,12)
InChIKey:
ZPSMLHACCMACCN-UHFFFAOYSA-N

Cite this record

CBID:308875 http://www.chembase.cn/molecule-308875.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
IUPAC Traditional name
3-isopropyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
Synonyms
3-isopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CAS Number
1177284-02-4
MDL Number
MFCD11505346

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) -1.9728715  LogD (pH = 7.4) -0.36498278 
Log P 0.94185907  Molar Refractivity 50.0838 cm3
Polarizability 18.816936 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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