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Details

Stereochemistry ACHIRAL
Molecular Formula C3H5BN2O2.ClH
Molecular Weight 148.356
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pyrazole-4-boronic acid hydrochloride

SMILES

Cl.OB(O)C1=CNN=C1

InChI

InChIKey=CRKPOXLJKQYRQE-UHFFFAOYSA-N
InChI=1S/C3H5BN2O2.ClH/c7-4(8)3-1-5-6-2-3;/h1-2,7-8H,(H,5,6);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C3H5BN2O2
Molecular Weight 111.895
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 20:56:36 GMT 2025
Edited
by admin
on Wed Apr 02 20:56:36 GMT 2025
Record UNII
THQ6UB5LLM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pyrazole-4-boronic acid hydrochloride
Systematic Name English
(1H-Pyrazol-4-yl)boronic acid hydrochloride
Preferred Name English
1H-Pyrazole-4-boronic acid hydrochloride
Systematic Name English
Boronic acid, B-1H-pyrazol-4-yl-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80681674
Created by admin on Wed Apr 02 20:56:36 GMT 2025 , Edited by admin on Wed Apr 02 20:56:36 GMT 2025
PRIMARY
CAS
1256346-38-9
Created by admin on Wed Apr 02 20:56:36 GMT 2025 , Edited by admin on Wed Apr 02 20:56:36 GMT 2025
PRIMARY
FDA UNII
THQ6UB5LLM
Created by admin on Wed Apr 02 20:56:36 GMT 2025 , Edited by admin on Wed Apr 02 20:56:36 GMT 2025
PRIMARY
PUBCHEM
53216435
Created by admin on Wed Apr 02 20:56:36 GMT 2025 , Edited by admin on Wed Apr 02 20:56:36 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE