1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester

• Catalog Number: ACM1218790534
• Product Name: 1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester
• CAS: 1218790-53-4
• Category: Other
• IUPAC Name: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
• Molecular Weight: 276.07g/mol
• Molecular Formula: C11H16BF3N2O2
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2C(F)(F)F)C
• InChI: InChI=1S/C11H16BF3N2O2/c1-9(2)10(3,4)19-12(18-9)7-6-17(5)16-8(7)11(13,14)15/h6H,1-5H3
• InChI Key: MUZZCKPFJNQCIH-UHFFFAOYSA-N
• Complexity: 346
• Covalently-Bonded Unit Count: 1
• Exact Mass: 276.125692g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 0
• Heavy Atom Count: 19
• Monoisotopic Mass: 276.125692g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester?

The molecular formula is C11H16BF3N2O2.

What is the molecular weight of 1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester?

The molecular weight is 276.07 g/mol.

What is the IUPAC name of 1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester?

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

What is the InChI of 1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester?

The InChI is InChI=1S/C11H16BF3N2O2/c1-9(2)10(3,4)19-12(18-9)7-6-17(5)16-8(7)11(13,14)15/h6H,1-5H3.

What is the InChIKey of 1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester?

The InChIKey is MUZZCKPFJNQCIH-UHFFFAOYSA-N.

What is the CAS number of 1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester?

The CAS number is 1218790-53-4.

What is the European Community (EC) number of 1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester?

The EC number is 815-760-6.

What is the hydrogen bond donor count of 1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of 1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester?

The hydrogen bond acceptor count is 6.

Is 1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester canonicalized?

Yes, it is canonicalized.