5-Amino-1-(2-bromo-5-nitrophenyl)-3-(4-phenoxyphenyl)-1H-pyrazole-4-carboxamide

HCID 117668233
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Basic information

Standard SMILES
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn(-c2cc([N+](=O)[O-])ccc2Br)c1N
InChIKey
GYHHAKFFCDGERX-UHFFFAOYSA-N
Molecular formula
C22H16BrN5O4
Average molar mass
494.3 g/mol

Names & identifiers

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

Names & synonyms

5-Amino-1-(2-bromo-5-nitrophenyl)-3-(4-phenoxyphenyl)-1H-pyrazole-4-carboxamideSCHEMBL16197306GYHHAKFFCDGERX-UHFFFAOYSA-NDB-1395101633352-41-6

Database identifiers

PubChem CID
117668233

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
142 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
32

Related reactions

2 records
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Linked notes

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