Home Boronic Acids 1220635-60-8
1220635-60-8,MFCD18383250
Catalog No.:AA0016M6
1220635-60-8 | 1H-Pyrazole, 1-[(tetrahydro-2H-pyran-4-yl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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1g
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5g
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$1,639.00
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Technical Information
Catalog Number:
AA0016M6
Chemical Name:
1H-Pyrazole, 1-[(tetrahydro-2H-pyran-4-yl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1220635-60-8
Molecular Formula:
C15H25BN2O3
Molecular Weight:
292.1816
MDL Number:
MFCD18383250
IUPAC Name:
1-(oxan-4-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C15H25BN2O3/c1-14(2)15(3,4)21-16(20-14)13-9-17-18(11-13)10-12-5-7-19-8-6-12/h9,11-12H,5-8,10H2,1-4H3
InChI Key:
OMRFOTIFDZORHU-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1)CC1CCOCC1
Properties
Computed Properties
 
Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.196g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.186g/mol
Monoisotopic Mass:
292.196g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1220635-60-8 
1-((tetrahydro-2H-pyran-4-yl)methyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 
KS-000005Q8 
AS-52924 
CS-0052929 
FT-0741634 
A1-03146 
F2167-4705 
1-((Tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazole-4-boronic acid pinacol ester 
1-[(oxan-4-yl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 
1-[(tetrahydro-2H-pyran-4-yl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Pyrazole 
(1-((Tetrahydro-2H-pyran-4-yl)methyl)-1h-pyrazol-4-yl)boronic acid pinacol ester 
1-(Tetrahydropyran-4-ylmethyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole 
1-(Tetrahydro-pyran-4-ylmethyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole 
SCHEMBL13412130 
MFCD18383250 
AKOS030236104 
ZINC202409360 
SB13748 
Literature
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