1H-pyrazole-3-boronic acid hydrate

• CAS: 376584-63-3
• Catalog Number: ACM376584633
• Category: Boronic Acids
• Molecular Weight: 111.89
• Molecular Formula: C₃H₅BN₂O₂
• Synonyms: CHEMBRDG-BB 4201615;1H-PYRAZOL-3-YL BORONIC ACID;1H-PYRAZOLE-3-YL BORONIC ACID;1H-PYRAZOLE-3-BORONIC ACID;1H-Pyrazole-3-boronic acid hydrate, 95%;Pyrazole-3-boronic acid;Pyrazole-2-boronic acid;boronic acid, 1H-pyrazol-5-yl-
• Melting Point: 85-88°C
• Hazard Statements: Xi
• Safety Description: 26-36/37
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 1H-pyrazole-3-boronic acid hydrate?

The molecular formula of 1H-pyrazole-3-boronic acid hydrate is C3H7BN2O3.

When was 1H-pyrazole-3-boronic acid hydrate created and modified in PubChem?

1H-pyrazole-3-boronic acid hydrate was created on 2010-07-26 and modified on 2023-12-02 in PubChem.

What is the IUPAC name of 1H-pyrazole-3-boronic acid hydrate?

The IUPAC name of 1H-pyrazole-3-boronic acid hydrate is 1H-pyrazol-5-ylboronic acid;hydrate.

What is the InChI key of 1H-pyrazole-3-boronic acid hydrate?

The InChI key of 1H-pyrazole-3-boronic acid hydrate is NXQCQMBEFQLICU-UHFFFAOYSA-N.

What is the canonical SMILES representation of 1H-pyrazole-3-boronic acid hydrate?

The canonical SMILES representation of 1H-pyrazole-3-boronic acid hydrate is B(C1=CC=NN1)(O)O.O.

What is the molecular weight of 1H-pyrazole-3-boronic acid hydrate?

The molecular weight of 1H-pyrazole-3-boronic acid hydrate is 129.91 g/mol.

How many hydrogen bond donor counts does 1H-pyrazole-3-boronic acid hydrate have?

1H-pyrazole-3-boronic acid hydrate has 4 hydrogen bond donor counts.

What is the heavy atom count of 1H-pyrazole-3-boronic acid hydrate?

The heavy atom count of 1H-pyrazole-3-boronic acid hydrate is 9.

Is 1H-pyrazole-3-boronic acid hydrate a canonical compound?

Yes, 1H-pyrazole-3-boronic acid hydrate is a canonical compound.

What is the topological polar surface area of 1H-pyrazole-3-boronic acid hydrate?

The topological polar surface area of 1H-pyrazole-3-boronic acid hydrate is 70.1 Ų.

Synthetic Use

Upstream Synthesis Route 1

• 449758-17-2

• 376584-63-3

Reference: [1] Patent: WO2007/138072, 2007, A2, . Location in patent: Page/Page column 55

Downstream Synthesis Route 1

• 934493-91-1
• 376584-63-3

• 934493-76-2

Reference: [1] Patent: WO2014/135572, 2014, A1, . Location in patent: Sheet 1

Downstream Synthesis Route 2

• 108-86-1
• 376584-63-3

• 2458-26-6

Reference: [1]Journal of Medicinal Chemistry,2004,vol. 47,p. 2995 - 3008

Downstream Synthesis Route 3

• 959709-11-6
• 376584-63-3

• 1009378-48-6

Reference: [1]Patent: WO2008/24390,2008,A2 .Location in patent: Page/Page column 72-73; 110

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