(5-Methyl-1H-pyrazol-3-yl)boronic acid

• CAS: 1163248-54-1
• Catalog Number: ACM1163248541
• Category: Boronic Acids

Custom Q&A

What is the molecular formula of (5-Methyl-1H-pyrazol-3-yl)boronic acid?

The molecular formula is C4H7BN2O2.

When was (5-Methyl-1H-pyrazol-3-yl)boronic acid first created in PubChem?

It was first created on February 18, 2013.

What is the molecular weight of (5-Methyl-1H-pyrazol-3-yl)boronic acid?

The molecular weight is 125.92 g/mol.

What is the InChI key of (5-Methyl-1H-pyrazol-3-yl)boronic acid?

The InChI key is VWENLWUOIPCRRJ-UHFFFAOYSA-N.

How many hydrogen bond donor counts does (5-Methyl-1H-pyrazol-3-yl)boronic acid have?

It has 3 hydrogen bond donor counts.

What is the exact mass of (5-Methyl-1H-pyrazol-3-yl)boronic acid?

The exact mass is 126.0600576 g/mol.

How many rotatable bond counts does (5-Methyl-1H-pyrazol-3-yl)boronic acid have?

It has 1 rotatable bond count.

What is the topological polar surface area of (5-Methyl-1H-pyrazol-3-yl)boronic acid?

The topological polar surface area is 69.1 Ų.

Does (5-Methyl-1H-pyrazol-3-yl)boronic acid have any defined atom stereocenter counts?

No, it does not have any defined atom stereocenter counts.

Is the compound canonicalized for (5-Methyl-1H-pyrazol-3-yl)boronic acid?

Yes, the compound is canonicalized.

Synthetic Use

Downstream Synthesis Route 1

• 1163248-54-1
• 615-36-1

• 114554-23-3

Reference: [1]Saudi, Milind; Zmurko, Joanna; Kaptein, Suzanne; Rozenski, Jef; Neyts, Johan; Van Aerschot, Arthur
[European Journal of Medicinal Chemistry, 2014, vol. 87, p. 529 - 539]

Downstream Synthesis Route 2

• 1163248-54-1
• 2041077-01-2

• 2041076-08-6

Reference: [1]Current Patent Assignee: ASTRAZENECA PLC - WO2016/177703, 2016, A1
Location in patent: Page/Page column 128

Downstream Synthesis Route 3

• 1163248-54-1
• 2041076-58-6

• 2041075-90-3

Reference: [1]Current Patent Assignee: ASTRAZENECA PLC - WO2016/177703, 2016, A1
Location in patent: Page/Page column 113

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