![4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/1164/1164539-31-4.webp)
4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 1164539-31-4) is a chemical compound with molecular formula C11H7ClF3N3O and molecular weight 289.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chlorophenyl)iminomethyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
Also Known As: 4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, 4-[(2-chlorophenyl)iminomethyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one, 4-{[(2-chlorophenyl)amino]methylidene}-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one, 4-[(2-chloroanilino)methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one, (4Z)-4-[(2-chloroanilino)methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one
| Molecular Formula | C11H7ClF3N3O |
|---|---|
| Molecular Weight | 289.02 g/mol |
| LogP | 3.1258 |
| Topological Polar Surface Area | 61.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.02298 |
| Heavy Atoms | 19 |
| Complexity | 672.3103 |
Chemical Identifiers
| CAS Number | 1164539-31-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N=CC2=C(NNC2=O)C(F)(F)F)Cl |
Product Overview
4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 1164539-31-4), with molecular formula C11H7ClF3N3O and molecular weight 289.02 g/mol. IUPAC: 4-[(2-chlorophenyl)iminomethyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 3.1258 indicates that 4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one has 2 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-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 1164539-31-4.
What is the molecular formula of 4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is C11H7ClF3N3O.
What is the molecular weight of 4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 289.02 g/mol.
Where can I buy 4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-[(2-chloroanilino)methylene]-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-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-chloroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.