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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H10F3N3O2
Molecular Weight 285.2219
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[3-(Aminomethyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

SMILES

NCC1=CC(=CC=C1)N2N=C(C=C2C(O)=O)C(F)(F)F

InChI

InChIKey=AMUXDCKKFCHHLY-UHFFFAOYSA-N
InChI=1S/C12H10F3N3O2/c13-12(14,15)10-5-9(11(19)20)18(17-10)8-3-1-2-7(4-8)6-16/h1-5H,6,16H2,(H,19,20)

HIDE SMILES / InChI

Approval Year

Name Type Language
1H-Pyrazole-5-carboxylic acid, 1-[3-(aminomethyl)phenyl]-3-(trifluoromethyl)-
Preferred Name English
1-[3-(Aminomethyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
12114412
Created by admin on Wed Apr 02 20:54:10 GMT 2025 , Edited by admin on Wed Apr 02 20:54:10 GMT 2025
PRIMARY
CAS
640287-98-5
Created by admin on Wed Apr 02 20:54:10 GMT 2025 , Edited by admin on Wed Apr 02 20:54:10 GMT 2025
PRIMARY
FDA UNII
QX6WYT693Y
Created by admin on Wed Apr 02 20:54:10 GMT 2025 , Edited by admin on Wed Apr 02 20:54:10 GMT 2025
PRIMARY