3-Bromo-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-4-nitro-1H-indazole

HCID 67261156CAS 1313410-15-9
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Basic information

Standard SMILES
CCn1ccc(Cn2nc(Br)c3c([N+](=O)[O-])cccc32)n1
InChIKey
SIKCMRHWHYYKHR-UHFFFAOYSA-N
Molecular formula
C13H12BrN5O2
Average molar mass
350.17 g/mol
Monoisotopic mass
349.01743672

Names & identifiers

Preferred name
3-Bromo-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-4-nitro-1H-indazole
IUPAC
3-bromo-1-[(1-ethylpyrazol-3-yl)methyl]-4-nitroindazole

Names & synonyms

1313410-15-93-bromo-1-((1-ethyl-1H-pyrazol-3-yl)methyl)-4-nitro-1H-indazole3-Bromo-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-4-nitro-1H-indazoleSCHEMBL2052141SIKCMRHWHYYKHR-UHFFFAOYSA-NDTXSID801174109DA-46127

Database identifiers

CAS
1313410-15-9
PubChem CID
67261156
DTXSID
DTXSID801174109

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
81.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
21

Related reactions

2 records
New reaction record

Linked notes

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