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Details

Stereochemistry ACHIRAL
Molecular Formula C13H14FN3O2
Molecular Weight 263.2676
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 5-amino-1-[(2-fluorophenyl)methyl]-1H-pyrazole-3-carboxylate

SMILES

CCOC(=O)C1=NN(CC2=CC=CC=C2F)C(N)=C1

InChI

InChIKey=DVWGQBBJLJWPKJ-UHFFFAOYSA-N
InChI=1S/C13H14FN3O2/c1-2-19-13(18)11-7-12(15)17(16-11)8-9-5-3-4-6-10(9)14/h3-7H,2,8,15H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H14FN3O2
Molecular Weight 263.2676
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 17:42:46 GMT 2025
Edited
by admin
on Wed Apr 02 17:42:46 GMT 2025
Record UNII
33DJ5CLR94
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Pyrazole-3-carboxylic acid, 5-amino-1-[(2-fluorophenyl)methyl]-, ethyl ester
Preferred Name English
Ethyl 5-amino-1-[(2-fluorophenyl)methyl]-1H-pyrazole-3-carboxylate
Systematic Name English
Code System Code Type Description
PUBCHEM
11391384
Created by admin on Wed Apr 02 17:42:46 GMT 2025 , Edited by admin on Wed Apr 02 17:42:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID701165496
Created by admin on Wed Apr 02 17:42:46 GMT 2025 , Edited by admin on Wed Apr 02 17:42:46 GMT 2025
PRIMARY
FDA UNII
33DJ5CLR94
Created by admin on Wed Apr 02 17:42:46 GMT 2025 , Edited by admin on Wed Apr 02 17:42:46 GMT 2025
PRIMARY
CAS
256504-39-9
Created by admin on Wed Apr 02 17:42:46 GMT 2025 , Edited by admin on Wed Apr 02 17:42:46 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT