5-Amino4-(3-bromobenzoyl)-1-(4-fluorophenyl)pyrazole

HCID 11451237
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Basic information

Standard SMILES
Nc1c(C(=O)c2cccc(Br)c2)cnn1-c1ccc(F)cc1
InChIKey
FQOSJTODWKHNRQ-UHFFFAOYSA-N
Molecular formula
C16H11BrFN3O
Average molar mass
360.18 g/mol
Monoisotopic mass
359.00695

Names & identifiers

Preferred name
5-Amino4-(3-bromobenzoyl)-1-(4-fluorophenyl)pyrazole
IUPAC
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-bromophenyl)methanone

Names & synonyms

SCHEMBL6162515FQOSJTODWKHNRQ-UHFFFAOYSA-N5-amino4-(3-bromobenzoyl)-1-(4-fluorophenyl)pyrazole5-amino-4-(3-bromobenzoyl)-1-(4 fluorophenyl)pyrazole5-amino-4-(3-bromobenzoyl)-1-(4-fluorophenyl)pyrazole

Database identifiers

PubChem CID
11451237

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
60.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
22

Related reactions

19 records
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Linked notes

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