Banner
Structure

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

CAS
761446-44-0
Catalog Number
ACM761446440
Category
Other
Molecular Weight
208.07g/mol
Molecular Formula
C10H17BN2O2

If you have any other questions or need other size, please get a quote.

  • Product Description
  • Case Study
  • Custom Reviews
  • Custom Q&A
  • Synthetic Use
  • Related Resources

Specification

Synonyms
1-METHYL-4-1H-PYRAZOLEBORONIC ACID, PINACOL ESTER;1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-1H-PYRAZOLE;1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE;1-METHYL-1H-PYRAZOLE-4-BORONIC ACID PINACOL ESTER;1-METHYLPYRAZOLE-4-BORO
IUPAC Name
1-methyl-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)C
InChI
InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h6-7H,1-5H3
InChI Key
UCNGGGYMLHAMJG-UHFFFAOYSA-N
Complexity
242
Covalently-Bonded Unit Count
1
Exact Mass
208.138308g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
0
Heavy Atom Count
15
Monoisotopic Mass
208.138308g/mol
Rotatable Bond Count
1
What is the molecular formula of 1-Methyl-1H-pyrazole-4-boronic acid pinacol ester?

The molecular formula is C10H17BN2O2.

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

The molecular weight is 208.07 g/mol.

What is the IUPAC name of 1-Methyl-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)pyrazole.

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

The InChI is InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h6-7H,1-5H3.

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

The InChIKey is UCNGGGYMLHAMJG-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Methyl-1H-pyrazole-4-boronic acid pinacol ester?

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

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

The CAS number is 761446-44-0.

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

The hydrogen bond donor count is 0.

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

The hydrogen bond acceptor count is 3.

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

Yes, 1-Methyl-1H-pyrazole-4-boronic acid pinacol ester is canonicalized.

Upstream Synthesis Route 1

  • 269410-08-4
  • 74-88-4
  • 761446-44-0

Reference: [1] Patent: WO2018/93569, 2018, A1, . Location in patent: Page/Page column 189

Upstream Synthesis Route 2

  • 15803-02-8
  • 73183-34-3
  • 761446-44-0

Reference: [1] Patent: WO2014/141187, 2014, A1, . Location in patent: Page/Page column 163

Downstream Synthesis Route 1

  • 761446-44-0
  • 78242-20-3

Reference: [1] Tetrahedron Letters, 2017, vol. 58, # 49, p. 4587 - 4590
[2] Patent: WO2016/11930, 2016, A1, . Location in patent: Page/Page column 138
[3] Journal of Medicinal Chemistry, 2016, vol. 59, # 4, p. 1370 - 1387

Downstream Synthesis Route 2

  • 1013-83-8
  • 761446-44-0
  • 917909-70-7

Reference: [1]Patent: WO2006/135978,2006,A1 .Location in patent: Page/Page column 26

Downstream Synthesis Route 3

  • 141-30-0
  • 761446-44-0
  • 943541-20-6

Reference: [1]Patent: WO2008/51808,2008,A2 .Location in patent: Page/Page column 96

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

Alfa Chemistry

For product inquiries, please use our online system or send an email to .

Alfa Chemistry
Inquiry Basket
qrcodex
Download
Verification code
* I hereby give my consent that I may receive marketing e-mails with information on existing and new services from this company. I know that I can opt-out from receiving such e-mails at any time or by using the link which will be provided in each marketing e-mail.