4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one
TL;DR: 4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one (CAS 219929-48-3) is a chemical compound with molecular formula C8H10F3N3O and molecular weight 221.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one
Also Known As: 4-(dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one, 4-[(dimethylamino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C8H10F3N3O |
|---|---|
| Molecular Weight | 221.08 g/mol |
| LogP | 0.8222 |
| Topological Polar Surface Area | 35.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.07759 |
| Heavy Atoms | 15 |
| Complexity | 343.53128 |
Chemical Identifiers
| CAS Number | 219929-48-3 |
|---|---|
| SMILES | CN1C(=O)C(=CN(C)C)C(=N1)C(F)(F)F |
Product Overview
4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one (CAS 219929-48-3), with molecular formula C8H10F3N3O and molecular weight 221.08 g/mol. IUPAC: 4-(dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one.
Chemical Property Profile of 4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one
Property Insights of 4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one
The XLogP value of 0.8222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one. With a topological polar surface area (TPSA) of 35.91 Ų, 4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-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 4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one?
The CAS number of 4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one is 219929-48-3.
What is the molecular formula of 4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one?
The molecular formula of 4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one is C8H10F3N3O.
What is the molecular weight of 4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one?
The molecular weight of 4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one is 221.08 g/mol.
Where can I buy 4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one?
You can request a quote for 4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)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-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylaminomethylidene)-2-methyl-5-(trifluoromethyl)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.