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Details

Stereochemistry ACHIRAL
Molecular Formula C11H9ClN2O2
Molecular Weight 236.654
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-[(4-Chlorophenyl)methyl]-1H-pyrazole-3-carboxylic acid

SMILES

OC(=O)C1=NNC(CC2=CC=C(Cl)C=C2)=C1

InChI

InChIKey=YKKXGQMJMUSFFP-UHFFFAOYSA-N
InChI=1S/C11H9ClN2O2/c12-8-3-1-7(2-4-8)5-9-6-10(11(15)16)14-13-9/h1-4,6H,5H2,(H,13,14)(H,15,16)

HIDE SMILES / InChI

Molecular Formula C11H9ClN2O2
Molecular Weight 236.654
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 Sat Dec 16 15:20:24 GMT 2023
Edited
by admin
on Sat Dec 16 15:20:24 GMT 2023
Record UNII
583WG25WXS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-[(4-Chlorophenyl)methyl]-1H-pyrazole-3-carboxylic acid
Systematic Name English
3-[(4-Chlorophenyl)methyl]-1H-pyrazole-5-carboxylic acid
Systematic Name English
1H-Pyrazole-3-carboxylic acid, 5-[(4-chlorophenyl)methyl]-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID801199068
Created by admin on Sat Dec 16 15:20:24 GMT 2023 , Edited by admin on Sat Dec 16 15:20:24 GMT 2023
PRIMARY
CAS
595610-52-9
Created by admin on Sat Dec 16 15:20:24 GMT 2023 , Edited by admin on Sat Dec 16 15:20:24 GMT 2023
PRIMARY
FDA UNII
583WG25WXS
Created by admin on Sat Dec 16 15:20:24 GMT 2023 , Edited by admin on Sat Dec 16 15:20:24 GMT 2023
PRIMARY
PUBCHEM
10857469
Created by admin on Sat Dec 16 15:20:24 GMT 2023 , Edited by admin on Sat Dec 16 15:20:24 GMT 2023
PRIMARY