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Details

Stereochemistry ACHIRAL
Molecular Formula C13H20IN3O2
Molecular Weight 377.2213
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(I)C=N2

InChI

InChIKey=IONGFFYQZADMPH-UHFFFAOYSA-N
InChI=1S/C13H20IN3O2/c1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17/h8-9,11H,4-7H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
tert-Butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate
Systematic Name English
1-Boc-4-(4-Iodo-1H-pyrazol-1-yl)piperidine
Preferred Name English
1-Piperidinecarboxylic acid, 4-(4-iodo-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester
Systematic Name English
4-(4-Iodopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester
Systematic Name English
tert-Butyl 4-(4-iodopyrazol-1-yl)piperidine-1-carboxylate
Systematic Name English
Code System Code Type Description
PUBCHEM
45480389
Created by admin on Wed Apr 02 17:57:04 GMT 2025 , Edited by admin on Wed Apr 02 17:57:04 GMT 2025
PRIMARY
FDA UNII
7YT375R3AH
Created by admin on Wed Apr 02 17:57:04 GMT 2025 , Edited by admin on Wed Apr 02 17:57:04 GMT 2025
PRIMARY
EPA CompTox
DTXSID40670342
Created by admin on Wed Apr 02 17:57:04 GMT 2025 , Edited by admin on Wed Apr 02 17:57:04 GMT 2025
PRIMARY
CAS
877399-73-0
Created by admin on Wed Apr 02 17:57:04 GMT 2025 , Edited by admin on Wed Apr 02 17:57:04 GMT 2025
PRIMARY
NIH
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