1-Cyclopropyl-1H-pyrazole-4-boronic acid pinacol ester

• CAS: 1151802-22-0
• Catalog Number: ACM1151802220
• Category: Boronic Esters
• Molecular Weight: 234.102460 [g/mol]
• Molecular Formula: C₁₂H₁₉BN₂O₂
• Synonyms: 1-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1151802-22-0, AGN-PC-0CUP2Z, SureCN1987497, CTK8B4454, MolPort-021-800-936, ANW-45071, AKOS015946259, QC-4834, RP28105, AK-38136, KB-12467, X4873, X9108, 1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole, 1H-Pyrazole,1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
• IUPAC Name: 1-cyclopropyl-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=C2)C3CC3
• InChI Key: NLWYVKHISUTBMY-UHFFFAOYSA-N
• Exact Mass: 234.15400
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

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

The molecular formula is C12H19BN2O2.

What are some synonyms for 1-Cyclopropyl-1H-pyrazole-4-boronic acid pinacol ester?

Some synonyms include 1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole and 1-Cyclopropyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

When was 1-Cyclopropyl-1H-pyrazole-4-boronic acid pinacol ester first created?

It was first created on August 20, 2012.

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

The molecular weight is 234.10 g/mol.

What is the InChIKey of 1-Cyclopropyl-1H-pyrazole-4-boronic acid pinacol ester?

The InChIKey is NLWYVKHISUTBMY-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 1-Cyclopropyl-1H-pyrazole-4-boronic acid pinacol ester have?

It has 3 hydrogen bond acceptor counts.

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

The topological polar surface area is 36.3Ų.

Is 1-Cyclopropyl-1H-pyrazole-4-boronic acid pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.

How many rotatable bond counts does 1-Cyclopropyl-1H-pyrazole-4-boronic acid pinacol ester have?

It has 2 rotatable bond counts.

What is the complexity of 1-Cyclopropyl-1H-pyrazole-4-boronic acid pinacol ester?

The complexity is 302.

Synthetic Use

Upstream Synthesis Route 1

• 61676-62-8
• 1239363-40-6

• 1151802-22-0

Reference: [1] Patent: US2011/230462, 2011, A1, . Location in patent: Page/Page column 84

Upstream Synthesis Route 2

• 1151802-23-1
• 73183-34-3

• 1151802-22-0

Reference: [1] Patent: WO2010/141273, 2010, A1, . Location in patent: Page/Page column 53

Upstream Synthesis Route 3

• 61676-62-8
• 1151802-23-1

• 1151802-22-0

Reference: [1] Patent: WO2014/32498, 2014, A1, . Location in patent: Page/Page column 18-19

Upstream Synthesis Route 4

• 61676-62-8
• 1239363-40-6

• 1151802-22-0

Reference: [1]Patent: US2011/230462,2011,A1 .Location in patent: Page/Page column 84

Downstream Synthesis Route 1

• 1151802-22-0
• 1161360-83-3

• 1161361-80-3

Reference: [1]Patent: WO2009/75874,2009,A1 .Location in patent: Page/Page column 110-111

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