CAS 1282518-60-8

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 3 Related Intermediates

1 Suppliers
1 End Use APIs
3 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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

CAS 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