4-[1-(4-methoxybenzyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine 1-oxide

HCID 67184479
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Basic information

Standard SMILES
COc1ccc(Cn2cc(-c3cc[n+]([O-])cc3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1
InChIKey
PERJPNUBNLOZNA-UHFFFAOYSA-N
Molecular formula
C22H18N4O4
Average molar mass
402.4 g/mol

Names & identifiers

Preferred name
4-[1-(4-methoxybenzyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine 1-oxide
IUPAC
4-[1-[(4-methoxyphenyl)methyl]-3-(3-nitrophenyl)pyrazol-4-yl]-1-oxidopyridin-1-ium

Names & synonyms

SCHEMBL1847735PERJPNUBNLOZNA-UHFFFAOYSA-N4-[1-(4-methoxybenzyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine 1-oxide

Database identifiers

PubChem CID
67184479

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
98.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
30

Related reactions

5 records
New reaction record

Linked notes

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