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4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]benzamide

HCID 178777987
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Basic information

CAS
514856-84-9
Standard SMILES
O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1ccc(Br)cc1
InChIKey
YWOQSIGGMGUQQO-UHFFFAOYSA-N
Molecular formula
C17H12BrCl2N3O
Average molar mass
425.1 g/mol

Names & identifiers

Preferred name
4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
IUPAC
4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
English name
4-bromo-N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]benzamide
Molecular formula
C17H12BrCl2N3O
Molecular weight
425.10668

Names & synonyms

4-bromo-N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]benzamideOprea1_5139184-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]benzamideSTK451531AKOS003303496ST50932171N-{1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl}(4-bromophenyl)carboxamide514856-84-9

Database identifiers

CAS
514856-84-9

Properties

Computed structural propertiesFilling in

XLogP
4.6
Topological polar surface area
46.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
24
Formal charge
0
Complexity
434

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