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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H14N2O4S
Molecular Weight 282.316
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-Dihydro-2-[4-[(2-hydroxyethyl)sulfonyl]phenyl]-5-methyl-3H-pyrazol-3-one

SMILES

CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)CCO

InChI

InChIKey=HYQYPARBQHUKAB-UHFFFAOYSA-N
InChI=1S/C12H14N2O4S/c1-9-8-12(16)14(13-9)10-2-4-11(5-3-10)19(17,18)7-6-15/h2-5,15H,6-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H14N2O4S
Molecular Weight 282.316
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 12:22:14 GMT 2023
Edited
by admin
on Sat Dec 16 12:22:14 GMT 2023
Record UNII
A837J8M5FP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-Dihydro-2-[4-[(2-hydroxyethyl)sulfonyl]phenyl]-5-methyl-3H-pyrazol-3-one
Systematic Name English
3H-Pyrazol-3-one, 2,4-dihydro-2-[4-[(2-hydroxyethyl)sulfonyl]phenyl]-5-methyl-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID0066743
Created by admin on Sat Dec 16 12:22:14 GMT 2023 , Edited by admin on Sat Dec 16 12:22:14 GMT 2023
PRIMARY
FDA UNII
A837J8M5FP
Created by admin on Sat Dec 16 12:22:14 GMT 2023 , Edited by admin on Sat Dec 16 12:22:14 GMT 2023
PRIMARY
CAS
21951-34-8
Created by admin on Sat Dec 16 12:22:14 GMT 2023 , Edited by admin on Sat Dec 16 12:22:14 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-678-8
Created by admin on Sat Dec 16 12:22:14 GMT 2023 , Edited by admin on Sat Dec 16 12:22:14 GMT 2023
PRIMARY
PUBCHEM
89114
Created by admin on Sat Dec 16 12:22:14 GMT 2023 , Edited by admin on Sat Dec 16 12:22:14 GMT 2023
PRIMARY