1-Methyl-3-(trifluoromethyl)pyrazole-5-boronic acid pinacol ester

CAS

1025719-23-6

Catalog Number

ACM1025719236

Category

Other Products; Boronic Esters

Molecular Weight

276.1

Molecular Formula

C₁₁H₁₆BF₃N₂O₂

MSDS COA Spec Sheet

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Specification

Synonyms

1025719-23-6, 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole, 1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOLE-5-BORONIC ACID PINACOL ESTER, 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid pinacol ester, CTK4A1242, ANW-52657, AKOS015921241, AB65202, AG-D-11901, AK-51060, KB-12840, A-4201, 1-Methyl-3-(trifluoromethyl)pyrazole-5-boronic acid pinacol ester,, 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-BORONIC ACID PINACOL ESTER

IUPAC Name

1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=NN2C)C(F)(F)F

InChI Key

CQKAWCKCEPHXAE-UHFFFAOYSA-N

Exact Mass

276.12600

H-Bond Acceptor

H-Bond Donor

May 23, 2023

Work good in drug synthesis.
Through chemical modification, the enzyme inhibitor prepared by 1-Methyl-3-(trifluoromethyl)pyrazole-5-boronic acid pinacol ester can target the index tumor diseases.

What is the molecular formula of 1-Methyl-3-(trifluoromethyl)pyrazole-5-boronic acid pinacol ester?

The molecular formula is C11H16BF3N2O2.

What is the molecular weight of 1-Methyl-3-(trifluoromethyl)pyrazole-5-boronic acid pinacol ester?

The molecular weight is 276.07 g/mol.

What is the IUPAC name of 1-Methyl-3-(trifluoromethyl)pyrazole-5-boronic acid pinacol ester?

The IUPAC name is 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole.

What is the InChI key of 1-Methyl-3-(trifluoromethyl)pyrazole-5-boronic acid pinacol ester?

The InChI key is CQKAWCKCEPHXAE-UHFFFAOYSA-N.

What is the canonical SMILES representation of 1-Methyl-3-(trifluoromethyl)pyrazole-5-boronic acid pinacol ester?

The canonical SMILES representation is B1(OC(C(O1)(C)C)(C)C)C2=CC(=NN2C)C(F)(F)F.

What is the CAS number of 1-Methyl-3-(trifluoromethyl)pyrazole-5-boronic acid pinacol ester?

The CAS number is 1025719-23-6.

What is the European Community (EC) number of 1-Methyl-3-(trifluoromethyl)pyrazole-5-boronic acid pinacol ester?

The European Community (EC) number is 687-323-6.

What is the ChEMBL ID of 1-Methyl-3-(trifluoromethyl)pyrazole-5-boronic acid pinacol ester?

The ChEMBL ID is CHEMBL5027660.

Is 1-Methyl-3-(trifluoromethyl)pyrazole-5-boronic acid pinacol ester a canonical compound?

Yes, it is a canonical compound.

Downstream Synthesis Route 1

1025719-23-6
1800025-26-6

1800025-27-7

Reference: [1]Sato, Kenjiro; Takahagi, Hiroki; Kubo, Osamu; Hidaka, Kousuke; Yoshikawa, Takeshi; Kamaura, Masahiro; Nakakariya, Masanori; Amano, Nobuyuki; Adachi, Ryutaro; Maki, Toshiyuki; Take, Kazumi; Takekawa, Shiro; Kitazaki, Tomoyuki; Maekawa, Tsuyoshi
[Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 15, p. 4544 - 4560]

* For details of the synthesis route, please refer to the original source to ensure accuracy.