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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H12ClF3N2O
Molecular Weight 352.738
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole

SMILES

COC1=CC=C(C=C1)N2N=C(C=C2C3=CC=C(Cl)C=C3)C(F)(F)F

InChI

InChIKey=PQUGCKBLVKJMNT-UHFFFAOYSA-N
InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3

HIDE SMILES / InChI

Molecular Formula C17H12ClF3N2O
Molecular Weight 352.738
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.009 µM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 15:18:49 GMT 2023
Edited
by admin
on Sat Dec 16 15:18:49 GMT 2023
Record UNII
6QX8U7AHB4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole
Systematic Name English
SC-560
Code English
1H-Pyrazole, 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
CAS
188817-13-2
Created by admin on Sat Dec 16 15:18:49 GMT 2023 , Edited by admin on Sat Dec 16 15:18:49 GMT 2023
PRIMARY
PUBCHEM
4306515
Created by admin on Sat Dec 16 15:18:49 GMT 2023 , Edited by admin on Sat Dec 16 15:18:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID00401775
Created by admin on Sat Dec 16 15:18:49 GMT 2023 , Edited by admin on Sat Dec 16 15:18:49 GMT 2023
PRIMARY
FDA UNII
6QX8U7AHB4
Created by admin on Sat Dec 16 15:18:49 GMT 2023 , Edited by admin on Sat Dec 16 15:18:49 GMT 2023
PRIMARY