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Details

Stereochemistry ACHIRAL
Molecular Formula C17H18F3N3O4
Molecular Weight 385.3377
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-(((tert-Butoxycarbonyl)amino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

SMILES

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

InChI

InChIKey=QDUCUBXLXCUHIP-UHFFFAOYSA-N
InChI=1S/C17H18F3N3O4/c1-16(2,3)27-15(26)21-9-10-5-4-6-11(7-10)23-12(14(24)25)8-13(22-23)17(18,19)20/h4-8H,9H2,1-3H3,(H,21,26)(H,24,25)

HIDE SMILES / InChI

Molecular Formula C17H18F3N3O4
Molecular Weight 385.3377
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:17:04 GMT 2025
Edited
by admin
on Wed Apr 02 19:17:04 GMT 2025
Record UNII
JKQ45J3KFN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-[3-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
Preferred Name English
1-(3-(((tert-Butoxycarbonyl)amino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
Systematic Name English
1H-Pyrazole-5-carboxylic acid, 1-[3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]phenyl]-3-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
CAS
640287-99-6
Created by admin on Wed Apr 02 19:17:04 GMT 2025 , Edited by admin on Wed Apr 02 19:17:04 GMT 2025
PRIMARY
PUBCHEM
11625179
Created by admin on Wed Apr 02 19:17:04 GMT 2025 , Edited by admin on Wed Apr 02 19:17:04 GMT 2025
PRIMARY
FDA UNII
JKQ45J3KFN
Created by admin on Wed Apr 02 19:17:04 GMT 2025 , Edited by admin on Wed Apr 02 19:17:04 GMT 2025
PRIMARY