![(E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one structure](/static/products/4777/477708-82-0.webp)
(E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one
TL;DR: (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one (CAS 477708-82-0) is a chemical compound with molecular formula C13H9ClF3N3O and molecular weight 315.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-pyridin-2-ylprop-2-en-1-one
Also Known As: (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one, 3-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-pyridin-2-ylprop-2-en-1-one, 3-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-(pyridin-2-yl)prop-2-en-1-one
| Molecular Formula | C13H9ClF3N3O |
|---|---|
| Molecular Weight | 315.04 g/mol |
| LogP | 3.3834 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.03864 |
| Heavy Atoms | 21 |
| Complexity | 692.6773 |
Chemical Identifiers
| CAS Number | 477708-82-0 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C=CC(=O)C2=CC=CC=N2)Cl |
Product Overview
(E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one (CAS 477708-82-0), with molecular formula C13H9ClF3N3O and molecular weight 315.04 g/mol. IUPAC: 3-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-pyridin-2-ylprop-2-en-1-one.
Chemical Property Profile of (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one
Property Insights of (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one
The XLogP value of 3.3834 indicates that (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one has 0 hydrogen bond donor(s) and 3 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 (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one?
The CAS number of (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one is 477708-82-0.
What is the molecular formula of (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one?
The molecular formula of (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one is C13H9ClF3N3O.
What is the molecular weight of (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one?
The molecular weight of (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one is 315.04 g/mol.
Where can I buy (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one?
You can request a quote for (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.