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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H9N3O3
Molecular Weight 183.1647
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 5-(formylamino)-1H-pyrazole-4-carboxylate

SMILES

CCOC(=O)C1=C(NC=O)NN=C1

InChI

InChIKey=VAEIHNPPOAVFAR-UHFFFAOYSA-N
InChI=1S/C7H9N3O3/c1-2-13-7(12)5-3-9-10-6(5)8-4-11/h3-4H,2H2,1H3,(H2,8,9,10,11)

HIDE SMILES / InChI

Molecular Formula C7H9N3O3
Molecular Weight 183.1647
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 Mon Mar 31 21:33:36 GMT 2025
Edited
by admin
on Mon Mar 31 21:33:36 GMT 2025
Record UNII
S14QI5149O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 5-(formylamino)-1H-pyrazole-4-carboxylate
Systematic Name English
Allopurinol Impurity E [EP IMPURITY]
Preferred Name English
Pyrazole-4-carboxylic acid, 3-formamido-, ethyl ester
Systematic Name English
Allopurinol related compound E [USP IMPURITY]
Common Name English
1H-Pyrazole-4-carboxylic acid, 3-(formylamino)-, ethyl ester
Systematic Name English
Allopurinol related compound E [USP-RS]
Common Name English
Code System Code Type Description
CAS
31055-19-3
Created by admin on Mon Mar 31 21:33:36 GMT 2025 , Edited by admin on Mon Mar 31 21:33:36 GMT 2025
PRIMARY
RS_ITEM_NUM
1013068
Created by admin on Mon Mar 31 21:33:36 GMT 2025 , Edited by admin on Mon Mar 31 21:33:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID10185014
Created by admin on Mon Mar 31 21:33:36 GMT 2025 , Edited by admin on Mon Mar 31 21:33:36 GMT 2025
PRIMARY
PUBCHEM
13926581
Created by admin on Mon Mar 31 21:33:36 GMT 2025 , Edited by admin on Mon Mar 31 21:33:36 GMT 2025
PRIMARY
FDA UNII
S14QI5149O
Created by admin on Mon Mar 31 21:33:36 GMT 2025 , Edited by admin on Mon Mar 31 21:33:36 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP