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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H13ClN4
Molecular Weight 260.722
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[1-(2-Aminopropyl)-1H-pyrazol-3-yl]-2-chlorobenzonitrile, (S)-

SMILES

C[C@H](N)CN1C=CC(=N1)C2=CC=C(C#N)C(Cl)=C2

InChI

InChIKey=MQWGPHFTKXGETE-VIFPVBQESA-N
InChI=1S/C13H13ClN4/c1-9(16)8-18-5-4-13(17-18)10-2-3-11(7-15)12(14)6-10/h2-6,9H,8,16H2,1H3/t9-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(S)-4-[1-(2-Aminopropyl)-1H-pyrazol-3-yl]-2-chlorobenzonitrile
Preferred Name English
4-[1-(2-Aminopropyl)-1H-pyrazol-3-yl]-2-chlorobenzonitrile, (S)-
Common Name English
Benzonitrile, 4-[1-[(2S)-2-aminopropyl]-1H-pyrazol-3-yl]-2-chloro-
Systematic Name English
4-[1-[(2S)-2-Aminopropyl]-1H-pyrazol-3-yl]-2-chlorobenzonitrile
Systematic Name English
Code System Code Type Description
FDA UNII
HVW497QYR7
Created by admin on Wed Apr 02 16:35:20 GMT 2025 , Edited by admin on Wed Apr 02 16:35:20 GMT 2025
PRIMARY
PUBCHEM
67170882
Created by admin on Wed Apr 02 16:35:20 GMT 2025 , Edited by admin on Wed Apr 02 16:35:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID101175168
Created by admin on Wed Apr 02 16:35:20 GMT 2025 , Edited by admin on Wed Apr 02 16:35:20 GMT 2025
PRIMARY
CAS
1297537-41-7
Created by admin on Wed Apr 02 16:35:20 GMT 2025 , Edited by admin on Wed Apr 02 16:35:20 GMT 2025
PRIMARY