1-Methyl-1H-pyrazole-5-boronic acid pinacol ester

• CAS: 847818-74-0
• Catalog Number: ACM847818740
• Category: Boronic Esters
• Molecular Weight: 208.07g/mol
• Molecular Formula: C10H17BN2O2
• IUPAC Name: 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C
• InChI: InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5/h6-7H,1-5H3
• InChI Key: HLXOVAMYQUFLPE-UHFFFAOYSA-N
• Complexity: 242
• Covalently-Bonded Unit Count: 1
• Exact Mass: 208.138308g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 15
• Monoisotopic Mass: 208.138308g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester?

The molecular formula of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester is C10H17BN2O2.

What is the molecular weight of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester?

The molecular weight of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester is 208.07 g/mol.

What is the IUPAC name of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester?

The IUPAC name of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester is 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the InChI of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester?

The InChI of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester is InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5/h6-7H,1-5H3.

What is the InChIKey of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester?

The InChIKey of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester is HLXOVAMYQUFLPE-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester?

The canonical SMILES of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester is B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C.

What is the CAS number of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester?

The CAS number of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester is 847818-74-0.

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

The European Community (EC) number of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester is 628-091-8.

What is the ChEMBL ID of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester?

The ChEMBL ID of 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester is CHEMBL3236900.

Is 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester a canonical compound?

Yes, 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester is a canonical compound.

Synthetic Use

Upstream Synthesis Route 1

• 930-36-9
• 61676-62-8

• 847818-74-0

Reference: [1] Patent: WO2009/158372, 2009, A1, . Location in patent: Page/Page column 30; 31

Upstream Synthesis Route 2

• 5419-55-6

• 847818-74-0

Reference: [1] Patent: WO2007/120729, 2007, A2, . Location in patent: Page/Page column 62-63

Upstream Synthesis Route 3

• 76-09-5
• 720702-41-0

• 847818-74-0

Reference: [1] Journal of Heterocyclic Chemistry, 2004, vol. 41, # 6, p. 931 - 939
[2] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 1, p. 196 - 204

Upstream Synthesis Route 4

• 76-09-5
• 720702-41-0

• 847818-74-0

Reference: [1]Journal of Heterocyclic Chemistry,2004,vol. 41,p. 931 - 939
[2]Bioorganic and Medicinal Chemistry,2013,vol. 21,p. 196 - 204

Downstream Synthesis Route 1

• 808744-34-5
• 847818-74-0

• 1036761-86-0

Reference: [1]Patent: WO2008/78100,2008,A2 .Location in patent: Page/Page column 97-98

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