![2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/3384/338420-92-1.webp)
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one (CAS 338420-92-1) is a chemical compound with molecular formula C14H14ClF3N4O2 and molecular weight 362.08 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]-4-(dimethylaminomethylidene)-5-ethoxypyrazol-3-one
Also Known As: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(dimethylaminomethylidene)-5-ethoxypyrazol-3-one
| Molecular Formula | C14H14ClF3N4O2 |
|---|---|
| Molecular Weight | 362.08 g/mol |
| LogP | 2.8959 |
| Topological Polar Surface Area | 58.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.07574 |
| Heavy Atoms | 24 |
| Complexity | 716.46136 |
Chemical Identifiers
| CAS Number | 338420-92-1 |
|---|---|
| SMILES | CCOC1=NN(C(=O)C1=CN(C)C)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one (CAS 338420-92-1), with molecular formula C14H14ClF3N4O2 and molecular weight 362.08 g/mol. IUPAC: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylaminomethylidene)-5-ethoxypyrazol-3-one.
Chemical Property Profile of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 2.8959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 58.03 Ų, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one has 0 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 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one is 338420-92-1.
What is the molecular formula of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one is C14H14ClF3N4O2.
What is the molecular weight of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one is 362.08 g/mol.
Where can I buy 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-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 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(dimethylamino)methylene]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.