![4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/3204/320425-07-8.webp)
4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 320425-07-8) is a chemical compound with molecular formula C12H9ClF3N3O and molecular weight 303.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)iminomethyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-4-{[(4-chlorophenyl)amino]methylidene}-1-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one, 4-[(4-chlorophenyl)iminomethyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one, 4-[(4-chloroanilino)methylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one, (4Z)-4-[(4-chloroanilino)methylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C12H9ClF3N3O |
|---|---|
| Molecular Weight | 303.04 g/mol |
| LogP | 3.1362 |
| Topological Polar Surface Area | 50.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.03864 |
| Heavy Atoms | 20 |
| Complexity | 698.21814 |
Chemical Identifiers
| CAS Number | 320425-07-8 |
|---|---|
| SMILES | CN1C(=O)C(=C(N1)C(F)(F)F)C=NC2=CC=C(C=C2)Cl |
Product Overview
4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 320425-07-8), with molecular formula C12H9ClF3N3O and molecular weight 303.04 g/mol. IUPAC: 4-[(4-chlorophenyl)iminomethyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 3.1362 indicates that 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.15 Ų, 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-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 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 320425-07-8.
What is the molecular formula of 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is C12H9ClF3N3O.
What is the molecular weight of 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 303.04 g/mol.
Where can I buy 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-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 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-chloroanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.