3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
TL;DR: 3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 303133-51-9) is a chemical compound with molecular formula C12H12F3N3O2 and molecular weight 287.09 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]-pyridin-4-ylmethanone
Also Known As: BAS 03386093, BIM-0027369.P001, 3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone, 2-Pyrazolin-5-ol, 3-ethyl-5-trifluoromethyl-1-(4-pyridincarbonyl)-
| Molecular Formula | C12H12F3N3O2 |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.08817 |
| Heavy Atoms | 20 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 303133-51-9 |
|---|---|
| SMILES | CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=NC=C2 |
| InChIKey | COZFSDSZAIONRT-UHFFFAOYSA-N |
Product Overview
3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 303133-51-9), with molecular formula C12H12F3N3O2 and molecular weight 287.09 g/mol. IUPAC: [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone.
Chemical Property Profile of 3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
Property Insights of 3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol has 1 hydrogen bond donor(s) and 7 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-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The CAS number of 3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 303133-51-9.
What is the molecular formula of 3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular formula of 3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is C12H12F3N3O2.
What is the molecular weight of 3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular weight of 3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 287.09 g/mol.
Where can I buy 3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
You can request a quote for 3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.