1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone
TL;DR: 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone (CAS 333750-78-0) is a chemical compound with molecular formula C21H22F3N3O3 and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
Also Known As: 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone, 1-[(2-Isopropyl-5-methylphenoxy)acetyl]-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol #, 1-[5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]ethanone, 1-[5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone, 2-Pyrazoline, 5-hydroxy-3-(4-pyridinyl)-5-trifluoromethyl-1-(2-isopropyl-5-methylphenoxyacetyl)-
| Molecular Formula | C21H22F3N3O3 |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.16132 |
| Heavy Atoms | 30 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 333750-78-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2C(CC(=N2)C3=CC=NC=C3)(C(F)(F)F)O |
| InChIKey | WPIDURCEJCZVCR-UHFFFAOYSA-N |
Product Overview
1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone (CAS 333750-78-0), with molecular formula C21H22F3N3O3 and molecular weight 421.16 g/mol. IUPAC: 1-[5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone.
Chemical Property Profile of 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone
Property Insights of 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone
The XLogP value of 4.3 indicates that 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone. Following Lipinski's Rule of Five, 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone has 1 hydrogen bond donor(s) and 8 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 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone?
The CAS number of 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone is 333750-78-0.
What is the molecular formula of 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone?
The molecular formula of 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone is C21H22F3N3O3.
What is the molecular weight of 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone?
The molecular weight of 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone is 421.16 g/mol.
Where can I buy 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone?
You can request a quote for 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-hydroxy-3-(pyridin-4-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(2-isopropyl-5-methylphenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.