1,3-Dimethyl-1H-pyrazole-4-boronic acid,pinacol ester

• CAS: 1046832-21-6
• Catalog Number: ACM1046832216-1
• Category: Boronic Esters
• Molecular Weight: 222.09g/mol
• Molecular Formula: C11H19BN2O2
• IUPAC Name: 1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2C)C
• InChI: InChI=1S/C11H19BN2O2/c1-8-9(7-14(6)13-8)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3
• InChI Key: FBNAMBTYMSWTIB-UHFFFAOYSA-N
• Complexity: 267
• Covalently-Bonded Unit Count: 1
• Exact Mass: 222.153958g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Monoisotopic Mass: 222.153958g/mol
• Rotatable Bond Count: 1

Custom Q&A

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

The molecular formula is C11H19BN2O2.

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

The molecular weight is 222.09 g/mol.

When was 1,3-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester created and modified in PubChem?

It was created on 2009-07-20 and modified on 2023-12-02.

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

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

What is the Canonical SMILES of 1,3-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester?

The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2C)C.

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

The InChIKey is FBNAMBTYMSWTIB-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts are there in 1,3-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester?

There are 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 1,3-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester?

The topological polar surface area is 36.3 Ų.

Is 1,3-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.

What is the complexity value of 1,3-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester?

The complexity value is 267.