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Suanfarma Suanfarma

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1282518-60-8 manufacturers and suppliers on PharmaCompass

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1282518-60-8
Also known as: 1282518-60-8, 1-isopropyl-1h-pyrazole-5-boronic acid, pinacol ester, 1-isopropylpyrazole-5-boronic acid pinacol ester, 1-(propan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole, 1-isopropyl-1h-pyrazole-5-boronic acid pinacol ester, Mfcd17167306
Molecular Formula
C12H21BN2O2
Molecular Weight
236.12  g/mol
InChI Key
ZKZJXVGTTZXHGX-UHFFFAOYSA-N

1 2D Structure

1282518-60-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
2.1.2 InChI
InChI=1S/C12H21BN2O2/c1-9(2)15-10(7-8-14-15)13-16-11(3,4)12(5,6)17-13/h7-9H,1-6H3
2.1.3 InChI Key
ZKZJXVGTTZXHGX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C(C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1282518-60-8

2. 1-isopropyl-1h-pyrazole-5-boronic Acid, Pinacol Ester

3. 1-isopropylpyrazole-5-boronic Acid Pinacol Ester

4. 1-(propan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

5. 1-isopropyl-1h-pyrazole-5-boronic Acid Pinacol Ester

6. Mfcd17167306

7. 1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

8. 1h-pyrazole, 1-(1-methylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

9. 1-(propan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

10. Zkzjxvgttzxhgx-uhfffaoysa-n

11. Schembl1485368

12. Dtxsid30718343

13. (1-isopropyl-1h-pyrazol-5-yl)boronic Acid Pinacol Ester

14. Akos015960244

15. Ab71707

16. Am80903

17. Cs-w003889

18. Ds-0953

19. Sy023897

20. En300-1614234

21. Z1741979942

22. 1-(1-methylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

23. 1-isopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

2.3 Create Date
2012-03-08
3 Chemical and Physical Properties
Molecular Weight 236.12 g/mol
Molecular Formula C12H21BN2O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area36.3
Heavy Atom Count17
Formal Charge0
Complexity278
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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