Home Boronic Acids 1000801-75-1
1000801-75-1,MFCD15474887
Catalog No.:AA0000SM
1000801-75-1 | 1H-Pyrazole, 1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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250mg
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1g
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5g
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Technical Information
Catalog Number:
AA0000SM
Chemical Name:
1H-Pyrazole, 1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1000801-75-1
Molecular Formula:
C13H21BN2O2
Molecular Weight:
248.1290
MDL Number:
MFCD15474887
IUPAC Name:
1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C13H21BN2O2/c1-12(2)13(3,4)18-14(17-12)11-7-15-16(9-11)8-10-5-6-10/h7,9-10H,5-6,8H2,1-4H3
InChI Key:
LJUAHBJQFILHLS-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1)CC1CC1
Properties
Computed Properties
 
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.17g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.133g/mol
Monoisotopic Mass:
248.17g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1000801-75-1 
1-(Cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 
ANW-48913 
MFCD15474887 
AKOS015920208 
ZINC169745739 
AM90000 
CS-W006691 
RP28797 
SB12170 
AK-38146 
BR-38146 
1-Cyclopropylmethyl-1H-pyrazole-4-boronic acid, pinacol ester 
DS-13214 
QC-11022 
SC-28396 
AB0034333 
TC-137658 
4CH-010387 
ST24021163 
X8468 
B-9464 
A1-06485 
1-(cyclopropylmethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 
J-503542 
1H-Pyrazole,1-(cyclopropylmethyl)-4-(4,4,5,5-tetra 
F2147-7456 
1-(Cyclopropylmethyl)1H-pyrazole-4-boronic acid pinacol ester 
(1-(CYCLOPROPYLMETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER 
1H-Pyrazole, 1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 
C13H21BN2O2 
1-(cyclopropylmethyl)-4-(3,3,4,4-tetramethylborolan-1-yl)-1H-pyrazole 
1-CYCLOPROPYLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-PYRAZOLE 
SCHEMBL1559915 
CTK8B5489 
KS-00000OOP 
DTXSID00695819 
LJUAHBJQFILHLS-UHFFFAOYSA-N 
Literature
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