![2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone structure](/static/products/957/957490-76-5.png)
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
TL;DR: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone (CAS 957490-76-5) is a chemical compound with molecular formula C12H11F7N4O2 and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
Also Known As: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone, 1-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, 2-[3,5-BIS(DIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-1-[5-HYDROXY-3-METHYL-5-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-1-ETHANONE, 2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
| Molecular Formula | C12H11F7N4O2 |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 2.6174 |
| Topological Polar Surface Area | 70.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.07703 |
| Heavy Atoms | 25 |
| Complexity | 700.12604 |
Chemical Identifiers
| CAS Number | 957490-76-5 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CN2C(=CC(=N2)C(F)F)C(F)F |
Product Overview
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone (CAS 957490-76-5), with molecular formula C12H11F7N4O2 and molecular weight 376.08 g/mol. IUPAC: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone.
Chemical Property Profile of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
Property Insights of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
The XLogP value of 2.6174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone. The TPSA of 70.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone. Following Lipinski's Rule of Five, 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone?
The CAS number of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone is 957490-76-5.
What is the molecular formula of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone?
The molecular formula of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone is C12H11F7N4O2.
What is the molecular weight of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone?
The molecular weight of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone is 376.08 g/mol.
Where can I buy 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone?
You can request a quote for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.