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Details

Stereochemistry ACHIRAL
Molecular Formula C6H9N3O2
Molecular Weight 155.1546
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 5-amino-1H-pyrazole-4-carboxylate

SMILES

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

InChI

InChIKey=YPXGHKWOJXQLQU-UHFFFAOYSA-N
InChI=1S/C6H9N3O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H3,7,8,9)

HIDE SMILES / InChI
Molecular Formula C6H9N3O2
Molecular Weight 155.1546
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
The synthesis, structure and properties of N-acetylated derivatives of ethyl 3-amino-1H-pyrazole-4-carboxylate.
2007-05
Patents

Patents

04178449
3
05389641
1
05840909
1
05846991
1
06559173
2
07378417
1
08093249
1
Substance Class Chemical
Created
by admin
on Wed Apr 02 11:01:11 GMT 2025
Edited
by admin
on Wed Apr 02 11:01:11 GMT 2025
Record UNII
9GY5HA1GAA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 5-amino-1H-pyrazole-4-carboxylate
Systematic Name English
Allopurinol Impurity D [EP IMPURITY]
Preferred Name English
Ethyl-5-amino-1H-pyrazole-4-carboxylate
Systematic Name English
1H-Pyrazole-4-carboxylic acid, 5-amino-, ethyl ester
Systematic Name English
Allopurinol related compound D [USP-RS]
Common Name English
Allopurinol related compound D [USP IMPURITY]
Common Name English
Code System Code Type Description
CAS
1260243-04-6
Created by admin on Wed Apr 02 11:01:11 GMT 2025 , Edited by admin on Wed Apr 02 11:01:11 GMT 2025
ALTERNATIVE
CAS
6994-25-8
Created by admin on Wed Apr 02 11:01:11 GMT 2025 , Edited by admin on Wed Apr 02 11:01:11 GMT 2025
PRIMARY
RS_ITEM_NUM
1013046
Created by admin on Wed Apr 02 11:01:11 GMT 2025 , Edited by admin on Wed Apr 02 11:01:11 GMT 2025
PRIMARY
FDA UNII
9GY5HA1GAA
Created by admin on Wed Apr 02 11:01:11 GMT 2025 , Edited by admin on Wed Apr 02 11:01:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID10990206
Created by admin on Wed Apr 02 11:01:11 GMT 2025 , Edited by admin on Wed Apr 02 11:01:11 GMT 2025
PRIMARY
PUBCHEM
81472
Created by admin on Wed Apr 02 11:01:11 GMT 2025 , Edited by admin on Wed Apr 02 11:01:11 GMT 2025
PRIMARY
Related Record Type Details
Structure of ALLOPURINOL
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of ALLOPURINOL
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
NCATS
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