![1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one structure](/static/products/3387/338769-99-6.webp)
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one (CAS 338769-99-6) is a chemical compound with molecular formula C11H9ClF3N3O and molecular weight 291.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethyl-1H-pyrazol-5-one
Also Known As: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one, 2H-968, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3,4-dimethyl-1H-pyrazol-5-one, 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C11H9ClF3N3O |
|---|---|
| Molecular Weight | 291.04 g/mol |
| LogP | 2.84964 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.03864 |
| Heavy Atoms | 19 |
| Complexity | 687.4695 |
Chemical Identifiers
| CAS Number | 338769-99-6 |
|---|---|
| SMILES | CC1=C(N(NC1=O)C2=C(C=C(C=N2)C(F)(F)F)Cl)C |
Product Overview
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one (CAS 338769-99-6), with molecular formula C11H9ClF3N3O and molecular weight 291.04 g/mol. IUPAC: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethyl-1H-pyrazol-5-one.
Chemical Property Profile of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 2.84964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 50.68 Ų, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 2 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-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one is 338769-99-6.
What is the molecular formula of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one is C11H9ClF3N3O.
What is the molecular weight of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one is 291.04 g/mol.
Where can I buy 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.