1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one
TL;DR: 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one (CAS 122431-37-2) is a chemical compound with molecular formula C5H5F3N2O and molecular weight 166.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one
Also Known As: 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one, 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one, 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one, 2-Methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, 1-Methyl-3-(trifluoromethyl)-2-pyrazolin-5-one
| Molecular Formula | C5H5F3N2O |
|---|---|
| Molecular Weight | 166.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.0354 |
| Heavy Atoms | 11 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 122431-37-2 |
|---|---|
| SMILES | CN1C(=O)CC(=N1)C(F)(F)F |
| InChIKey | SYHYFYSGUQRNRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one (CAS 122431-37-2), with molecular formula C5H5F3N2O and molecular weight 166.04 g/mol. IUPAC: 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one.
Chemical Property Profile of 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one
Property Insights of 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one. With a topological polar surface area (TPSA) of 32.7 Ų, 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-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-Methyl-3-trifluoromethyl-2-pyrazolin-5-one?
The CAS number of 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one is 122431-37-2.
What is the molecular formula of 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one?
The molecular formula of 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one is C5H5F3N2O.
What is the molecular weight of 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one?
The molecular weight of 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one is 166.04 g/mol.
Where can I buy 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one?
You can request a quote for 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.