1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one
TL;DR: 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one (CAS 6129-24-4) is a chemical compound with molecular formula C12H11F3N2O and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one
Also Known As: Fantipyrine, 2,3',4-trifluorobiphenyl, KST-1B6217, 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one, BAS 00533509
| Molecular Formula | C12H11F3N2O |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.08234 |
| Heavy Atoms | 18 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 6129-24-4 |
|---|---|
| SMILES | CC1=CC(=O)N(N1C)C2=CC=CC(=C2)C(F)(F)F |
| InChIKey | QJVDKENFWZFNAQ-UHFFFAOYSA-N |
Product Overview
1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one (CAS 6129-24-4), with molecular formula C12H11F3N2O and molecular weight 256.08 g/mol. IUPAC: 1,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one.
Chemical Property Profile of 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one
Property Insights of 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one. With a topological polar surface area (TPSA) of 23.6 Ų, 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-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 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one?
The CAS number of 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one is 6129-24-4.
What is the molecular formula of 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one?
The molecular formula of 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one is C12H11F3N2O.
What is the molecular weight of 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one?
The molecular weight of 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one is 256.08 g/mol.
Where can I buy 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one?
You can request a quote for 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-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 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethyl-2-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.