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Details

Stereochemistry ACHIRAL
Molecular Formula C4H4Br2N2O
Molecular Weight 255.895
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4-Dibromo-3-methyl-2-pyrazolin-5-one

SMILES

CC1=NNC(=O)C1(Br)Br

InChI

InChIKey=QQQQLBQGDDSBCA-UHFFFAOYSA-N
InChI=1S/C4H4Br2N2O/c1-2-4(5,6)3(9)8-7-2/h1H3,(H,8,9)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
NSC-522042
Preferred Name English
4,4-Dibromo-3-methyl-2-pyrazolin-5-one
Systematic Name English
4,4-Dibromo-2,4-dihydro-5-methyl-3H-pyrazol-3-one
Systematic Name English
3H-Pyrazol-3-one, 4,4-dibromo-2,4-dihydro-5-methyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
351503
Created by admin on Wed Apr 02 19:45:14 GMT 2025 , Edited by admin on Wed Apr 02 19:45:14 GMT 2025
PRIMARY
CAS
33549-66-5
Created by admin on Wed Apr 02 19:45:14 GMT 2025 , Edited by admin on Wed Apr 02 19:45:14 GMT 2025
PRIMARY
EPA CompTox
DTXSID70325939
Created by admin on Wed Apr 02 19:45:14 GMT 2025 , Edited by admin on Wed Apr 02 19:45:14 GMT 2025
PRIMARY
FDA UNII
43KQ2A5FQ3
Created by admin on Wed Apr 02 19:45:14 GMT 2025 , Edited by admin on Wed Apr 02 19:45:14 GMT 2025
PRIMARY
NIH
NCATS
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