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Details

Stereochemistry ACHIRAL
Molecular Formula C12H6F3N3O2
Molecular Weight 281.1901
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-Cyanophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

SMILES

OC(=O)C1=CC(=NN1C2=CC=CC(=C2)C#N)C(F)(F)F

InChI

InChIKey=FQVUSLUPETYVCP-UHFFFAOYSA-N
InChI=1S/C12H6F3N3O2/c13-12(14,15)10-5-9(11(19)20)18(17-10)8-3-1-2-7(4-8)6-16/h1-5H,(H,19,20)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-(3-Cyanophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
Systematic Name English
1-(3-Cyanophenyl)-3-trifluoromethylpyrazole-5-carboxylic acid
Preferred Name English
2-(3-Cyanophenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid
Systematic Name English
1H-Pyrazole-5-carboxylic acid, 1-(3-cyanophenyl)-3-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
NL3QVE36AT
Created by admin on Wed Apr 02 21:17:22 GMT 2025 , Edited by admin on Wed Apr 02 21:17:22 GMT 2025
PRIMARY
CAS
209917-93-1
Created by admin on Wed Apr 02 21:17:22 GMT 2025 , Edited by admin on Wed Apr 02 21:17:22 GMT 2025
PRIMARY
PUBCHEM
10540753
Created by admin on Wed Apr 02 21:17:22 GMT 2025 , Edited by admin on Wed Apr 02 21:17:22 GMT 2025
PRIMARY
NIH
NCATS
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