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

Details

Stereochemistry ABSOLUTE
Molecular Formula C6H8N2O3
Molecular Weight 156.1393
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(1-Hydroxyethyl)-1H-pyrazole-3-carboxylic acid, (S)-

SMILES

C[C@H](O)C1=CC(=NN1)C(O)=O

InChI

InChIKey=MCXMXJMPUWVLTI-VKHMYHEASA-N
InChI=1S/C6H8N2O3/c1-3(9)4-2-5(6(10)11)8-7-4/h2-3,9H,1H3,(H,7,8)(H,10,11)/t3-/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H8N2O3
Molecular Weight 156.1393
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:29:49 GMT 2023
Edited
by admin
on Sat Dec 16 19:29:49 GMT 2023
Record UNII
XQK3RL76YX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(1-Hydroxyethyl)-1H-pyrazole-3-carboxylic acid, (S)-
Systematic Name English
1H-Pyrazole-3-carboxylic acid, 5-[(1S)-1-hydroxyethyl]-
Systematic Name English
(S)-5-(1-Hydroxyethyl)-1H-pyrazole-3-carboxylic acid
Systematic Name English
5-[(1S)-1-Hydroxyethyl]-1H-pyrazole-3-carboxylic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
96412278
Created by admin on Sat Dec 16 19:29:49 GMT 2023 , Edited by admin on Sat Dec 16 19:29:49 GMT 2023
PRIMARY
FDA UNII
XQK3RL76YX
Created by admin on Sat Dec 16 19:29:49 GMT 2023 , Edited by admin on Sat Dec 16 19:29:49 GMT 2023
PRIMARY
CAS
1401572-44-8
Created by admin on Sat Dec 16 19:29:49 GMT 2023 , Edited by admin on Sat Dec 16 19:29:49 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER