![[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone structure](/static/products/3466/346633-85-0.webp)
[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone
TL;DR: [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone (CAS 346633-85-0) is a chemical compound with molecular formula C13H12F3N3O4 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone
Also Known As: [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](2-nitrophenyl)methanone|[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone|3-ethyl-5-hydroxy-5-(trifluoromethyl)(2-pyrazolinyl) 2-nitrophenyl ketone|3-ethyl-1-(2-nitrobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol|(3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)(2-nitrophenyl)methanone
| Molecular Formula | C13H12F3N3O4 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 2.4576 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.078 |
| Heavy Atoms | 23 |
| Complexity | 689.2875 |
Chemical Identifiers
| CAS Number | 346633-85-0 |
|---|---|
| SMILES | CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone (CAS 346633-85-0), with molecular formula C13H12F3N3O4 and molecular weight 331.08 g/mol. IUPAC: [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone.
Chemical Property Profile of [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone
Property Insights of [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone
The XLogP value of 2.4576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone. The TPSA of 96.04 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone. Following Lipinski's Rule of Five, [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone has 1 hydrogen bond donor(s) and 5 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 [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone?
The CAS number of [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone is 346633-85-0.
What is the molecular formula of [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone?
The molecular formula of [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone is C13H12F3N3O4.
What is the molecular weight of [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone?
The molecular weight of [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone is 331.08 g/mol.
Where can I buy [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone?
You can request a quote for [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.