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

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(Cl)=C(C=C2)C#N

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

Molecular Formula C13H13ClN4
Molecular Weight 260.722
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:32:53 GMT 2023
Edited
by admin
on Sat Dec 16 19:32:53 GMT 2023
Record UNII
HVW497QYR7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
(S)-4-[1-(2-Aminopropyl)-1H-pyrazol-3-yl]-2-chlorobenzonitrile
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 Sat Dec 16 19:32:53 GMT 2023 , Edited by admin on Sat Dec 16 19:32:53 GMT 2023
PRIMARY
PUBCHEM
67170882
Created by admin on Sat Dec 16 19:32:53 GMT 2023 , Edited by admin on Sat Dec 16 19:32:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID101175168
Created by admin on Sat Dec 16 19:32:53 GMT 2023 , Edited by admin on Sat Dec 16 19:32:53 GMT 2023
PRIMARY
CAS
1297537-41-7
Created by admin on Sat Dec 16 19:32:53 GMT 2023 , Edited by admin on Sat Dec 16 19:32:53 GMT 2023
PRIMARY