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

• Catalog Number: ACM847818740
• Product Name: 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester
• CAS: 847818-74-0
• Category: Boronic Esters
• IUPAC Name: 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• Molecular Weight: 208.07g/mol
• Molecular Formula: C10H17BN2O2
• Canonical 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.