U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H18BrN3O2
Molecular Weight 352.226
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(1-(4-BROMOBENZYL)-1H-PYRAZOL-3-YL)-NHYDROXYPENTANAMIDE

SMILES

ONC(=O)CCCCC1=NN(CC2=CC=C(Br)C=C2)C=C1

InChI

InChIKey=KUMOWDXVWDYLCE-UHFFFAOYSA-N
InChI=1S/C15H18BrN3O2/c16-13-7-5-12(6-8-13)11-19-10-9-14(17-19)3-1-2-4-15(20)18-21/h5-10,21H,1-4,11H2,(H,18,20)

HIDE SMILES / InChI

Molecular Formula C15H18BrN3O2
Molecular Weight 352.226
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:30:24 UTC 2023
Edited
by admin
on Sat Dec 16 13:30:24 UTC 2023
Record UNII
D2H3D0I22Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(1-(4-BROMOBENZYL)-1H-PYRAZOL-3-YL)-NHYDROXYPENTANAMIDE
Common Name English
1H-PYRAZOLE-3-PENTANAMIDE, 1-((4-BROMOPHENYL)METHYL)-N-HYDROXY-
Systematic Name English
Code System Code Type Description
FDA UNII
D2H3D0I22Y
Created by admin on Sat Dec 16 13:30:24 UTC 2023 , Edited by admin on Sat Dec 16 13:30:24 UTC 2023
PRIMARY
PUBCHEM
72195598
Created by admin on Sat Dec 16 13:30:24 UTC 2023 , Edited by admin on Sat Dec 16 13:30:24 UTC 2023
PRIMARY
CAS
1436462-59-7
Created by admin on Sat Dec 16 13:30:24 UTC 2023 , Edited by admin on Sat Dec 16 13:30:24 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
BINDING
IC50