5-amino-1-(2-bromo-5-nitrophenyl)-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile

HCID 117668213
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Basic information

Standard SMILES
N#Cc1c(-c2ccc(Oc3ccccc3)cc2)nn(-c2cc([N+](=O)[O-])ccc2Br)c1N
InChIKey
XKQLRCGKRWINSB-UHFFFAOYSA-N
Molecular formula
C22H14BrN5O3
Average molar mass
476.3 g/mol

Names & identifiers

Preferred name
5-amino-1-(2-bromo-5-nitrophenyl)-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
IUPAC
5-amino-1-(2-bromo-5-nitrophenyl)-3-(4-phenoxyphenyl)pyrazole-4-carbonitrile

Names & synonyms

5-amino-1-(2-bromo-5-nitrophenyl)-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrileSCHEMBL16197283XKQLRCGKRWINSB-UHFFFAOYSA-NDB-1395091633352-40-5

Database identifiers

PubChem CID
117668213

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
123 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
31

Related reactions

2 records
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Linked notes

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