1282518-60-8

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1 End Use APIs
3 Related Intermediates

Chemistry

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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 Formula	C₁₂H₂₁BN₂O₂
Molecular Weight	236.12 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	36.3
Heavy Atom Count	17
Formal Charge	0
Complexity	278
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1