Home Boronic Acids 1153949-38-2
1153949-38-2,MFCD18206946
Catalog No.:AA000FTW
1153949-38-2 | 1H-Pyrazole-1-propanenitrile, β-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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Technical Information
Catalog Number:
AA000FTW
Chemical Name:
1H-Pyrazole-1-propanenitrile, β-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1153949-38-2
Molecular Formula:
C17H26BN3O2
Molecular Weight:
315.2182
MDL Number:
MFCD18206946
IUPAC Name:
3-cyclopentyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile
InChI:
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
InChI Key:
LJZLJWDLFHJEOC-UHFFFAOYSA-N
SMILES:
N#CCC(n1ncc(c1)B1OC(C(O1)(C)C)(C)C)C1CCCC1
Properties
Computed Properties
 
Complexity:
466  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.212g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.224g/mol
Monoisotopic Mass:
315.212g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Synonyms
 
1153949-38-2 
3-cyclopentyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propanenitrile 
CS-0005704 
KS-00000689 
1-(2-Cyano-1-cyclopentylethyl)-1H-pyrazol-4-boronic acid pinacol ester 
1H-Pyrazole-1-propanenitrile, beta-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 
3-cyclopentyl-3-(4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanenitrile 
beta-Cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile 
Racemic 3-Cyclopentyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanenitrile 
(R)-3-Cyclopentyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanenitrile 
1146629-84-6 
3-cyclopentyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanenitrile 
LJZLJWDLFHJEOC-UHFFFAOYSA-N 
SCHEMBL1612367 
BCP17167 
MFCD18206946 
AKOS030630880 
SB18215 
AS-53481 
Literature
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