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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H11IN2O2
Molecular Weight 294.0896
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl 4-iodo-1H-pyrazole-1-carboxylate

SMILES

CC(C)(C)OC(=O)N1C=C(I)C=N1

InChI

InChIKey=WRCRIGRVTPLDDD-UHFFFAOYSA-N
InChI=1S/C8H11IN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10-11/h4-5H,1-3H3

HIDE SMILES / InChI

Molecular Formula C8H11IN2O2
Molecular Weight 294.0896
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 20:01:05 GMT 2025
Edited
by admin
on Wed Apr 02 20:01:05 GMT 2025
Record UNII
MHD8GAM6SY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1-Dimethylethyl 4-iodo-1H-pyrazole-1-carboxylate
Preferred Name English
tert-Butyl 4-iodo-1H-pyrazole-1-carboxylate
Systematic Name English
1H-Pyrazole-1-carboxylic acid, 4-iodo-, 1,1-dimethylethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
17750224
Created by admin on Wed Apr 02 20:01:05 GMT 2025 , Edited by admin on Wed Apr 02 20:01:05 GMT 2025
PRIMARY
CAS
121669-70-3
Created by admin on Wed Apr 02 20:01:05 GMT 2025 , Edited by admin on Wed Apr 02 20:01:05 GMT 2025
PRIMARY
FDA UNII
MHD8GAM6SY
Created by admin on Wed Apr 02 20:01:05 GMT 2025 , Edited by admin on Wed Apr 02 20:01:05 GMT 2025
PRIMARY