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

Details

Stereochemistry RACEMIC
Molecular Formula C17H26BN3O2
Molecular Weight 315.218
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Cyclopentyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propanenitrile

SMILES

CC1(C)OB(OC1(C)C)C2=CN(N=C2)C(CC#N)C3CCCC3

InChI

InChIKey=LJZLJWDLFHJEOC-UHFFFAOYSA-N
InChI=1S/C17H26BN3O2/c1-16(2)17(3,4)23-18(22-16)14-11-20-21(12-14)15(9-10-19)13-7-5-6-8-13/h11-13,15H,5-9H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C17H26BN3O2
Molecular Weight 315.218
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:22:16 GMT 2025
Edited
by admin
on Wed Apr 02 21:22:16 GMT 2025
Record UNII
TF3SK7WTL4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Cyclopentyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propanenitrile
Systematic Name English
1H-Pyrazole-1-propanenitrile, ?-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Preferred Name English
3-Cyclopentyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile
Systematic Name English
?-Cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile
Systematic Name English
Code System Code Type Description
PUBCHEM
59420165
Created by admin on Wed Apr 02 21:22:16 GMT 2025 , Edited by admin on Wed Apr 02 21:22:16 GMT 2025
PRIMARY
FDA UNII
TF3SK7WTL4
Created by admin on Wed Apr 02 21:22:16 GMT 2025 , Edited by admin on Wed Apr 02 21:22:16 GMT 2025
PRIMARY
CAS
1153949-38-2
Created by admin on Wed Apr 02 21:22:16 GMT 2025 , Edited by admin on Wed Apr 02 21:22:16 GMT 2025
PRIMARY