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Details

Stereochemistry ACHIRAL
Molecular Formula C4H4N2O2
Molecular Weight 112.0868
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CARBOXYPYRAZOLE

SMILES

OC(=O)C1=CNN=C1

InChI

InChIKey=IMBBXSASDSZJSX-UHFFFAOYSA-N
InChI=1S/C4H4N2O2/c7-4(8)3-1-5-6-2-3/h1-2H,(H,5,6)(H,7,8)

HIDE SMILES / InChI
Molecular Formula C4H4N2O2
Molecular Weight 112.0868
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
A solid-state NMR, X-ray diffraction, and ab initio computational study of hydrogen-bond structure and dynamics of pyrazole-4-carboxylic acid chains.
2001 Aug 15
Patents

Patents

05066479
1
05616579
6
05719155
1
05910504
29
06124334
1
06696437
1
07589232
2
07888354
4
08183387
4
08193176
5
08263633
6
08440666
1
08653063
2
08673952
13
20020016326
1
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:50:28 GMT 2025
Edited
by admin
on Mon Mar 31 22:50:28 GMT 2025
Record UNII
4XJZ84GV8E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-CARBOXYPYRAZOLE
Systematic Name English
1H-PYRAZOLE-4-CARBOXYLIC ACID
Preferred Name English
PYRAZOLE-4-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10191150
Created by admin on Mon Mar 31 22:50:28 GMT 2025 , Edited by admin on Mon Mar 31 22:50:28 GMT 2025
PRIMARY
FDA UNII
4XJZ84GV8E
Created by admin on Mon Mar 31 22:50:28 GMT 2025 , Edited by admin on Mon Mar 31 22:50:28 GMT 2025
PRIMARY
CAS
37718-11-9
Created by admin on Mon Mar 31 22:50:28 GMT 2025 , Edited by admin on Mon Mar 31 22:50:28 GMT 2025
PRIMARY
ECHA (EC/EINECS)
253-641-5
Created by admin on Mon Mar 31 22:50:28 GMT 2025 , Edited by admin on Mon Mar 31 22:50:28 GMT 2025
PRIMARY
PUBCHEM
3015937
Created by admin on Mon Mar 31 22:50:28 GMT 2025 , Edited by admin on Mon Mar 31 22:50:28 GMT 2025
PRIMARY
Related Record Type Details
Structure of FOMEPIZOLE
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