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

Details

Stereochemistry RACEMIC
Molecular Formula C6H10N2O2
Molecular Weight 142.1558
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-Hydroxyethyl)-3-methyl-2-pyrazolin-5-one

SMILES

CC1=NNC(=O)C1CCO

InChI

InChIKey=GCKLKGJKIRVDQB-UHFFFAOYSA-N
InChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h5,9H,2-3H2,1H3,(H,8,10)

HIDE SMILES / InChI

Molecular Formula C6H10N2O2
Molecular Weight 142.1558
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:46:00 GMT 2023
Edited
by admin
on Sat Dec 16 18:46:00 GMT 2023
Record UNII
BCM4NG56F6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2-Hydroxyethyl)-3-methyl-2-pyrazolin-5-one
Systematic Name English
NSC-125000
Code English
3-Methyl-4-β-hydroxyethyle-5-pyrazolone
Systematic Name English
2-Pyrazolin-5-one, 4-(2-hydroxyethyl)-3-methyl-
Systematic Name English
2,4-Dihydro-4-(2-hydroxyethyl)-5-methyl-3H-pyrazol-3-one
Systematic Name English
4-(2-Hydroxyethyl)-3-methyl-1H-pyrazol-5(4H)-one
Systematic Name English
NSC-60694
Code English
3H-Pyrazol-3-one, 2,4-dihydro-4-(2-hydroxyethyl)-5-methyl-
Systematic Name English
Code System Code Type Description
NSC
60694
Created by admin on Sat Dec 16 18:46:00 GMT 2023 , Edited by admin on Sat Dec 16 18:46:00 GMT 2023
PRIMARY
FDA UNII
BCM4NG56F6
Created by admin on Sat Dec 16 18:46:00 GMT 2023 , Edited by admin on Sat Dec 16 18:46:00 GMT 2023
PRIMARY
PUBCHEM
246988
Created by admin on Sat Dec 16 18:46:00 GMT 2023 , Edited by admin on Sat Dec 16 18:46:00 GMT 2023
PRIMARY
CAS
7721-54-2
Created by admin on Sat Dec 16 18:46:00 GMT 2023 , Edited by admin on Sat Dec 16 18:46:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID50289409
Created by admin on Sat Dec 16 18:46:00 GMT 2023 , Edited by admin on Sat Dec 16 18:46:00 GMT 2023
PRIMARY