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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H12N2O2
Molecular Weight 168.1931
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLATE

SMILES

CCOC(=O)C1=C(C)NN=C1C

InChI

InChIKey=BCKARVLFIJPHQU-UHFFFAOYSA-N
InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C8H12N2O2
Molecular Weight 168.1931
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 Thu Jul 06 17:31:22 UTC 2023
Edited
by admin
on Thu Jul 06 17:31:22 UTC 2023
Record UNII
SS3UNU86DP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLATE
Systematic Name English
3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Systematic Name English
ETHYL 3,5-DIMETHYL-1H-4-PYRAZOLECARBOXYLATE
Systematic Name English
ETHYL 3,5-DIMETHYLPYRAZOLE-4-CARBOXYLATE
Systematic Name English
1H-PYRAZOLE-4-CARBOXYLIC ACID, 3,5-DIMETHYL-, ETHYL ESTER
Systematic Name English
Code System Code Type Description
DRUG BANK
DB04271
Created by admin on Thu Jul 06 17:31:22 UTC 2023 , Edited by admin on Thu Jul 06 17:31:22 UTC 2023
PRIMARY
PUBCHEM
215436
Created by admin on Thu Jul 06 17:31:22 UTC 2023 , Edited by admin on Thu Jul 06 17:31:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID80189206
Created by admin on Thu Jul 06 17:31:22 UTC 2023 , Edited by admin on Thu Jul 06 17:31:22 UTC 2023
PRIMARY
CAS
35691-93-1
Created by admin on Thu Jul 06 17:31:22 UTC 2023 , Edited by admin on Thu Jul 06 17:31:22 UTC 2023
PRIMARY
FDA UNII
SS3UNU86DP
Created by admin on Thu Jul 06 17:31:22 UTC 2023 , Edited by admin on Thu Jul 06 17:31:22 UTC 2023
PRIMARY