![4-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/3390/339020-90-5.webp)
4-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 339020-90-5) is a chemical compound with molecular formula C7H8F3N3O and molecular weight 207.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-(dimethylaminomethylidene)-3-(trifluoromethyl)-1H-pyrazol-5-one
Also Known As: 4-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-4-(dimethylaminomethylidene)-3-(trifluoromethyl)-1H-pyrazol-5-one, 4-[(dimethylamino)methylidene]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one, (4Z)-4-(dimethylaminomethylene)-3-(trifluoromethyl)-1H-pyrazol-5-one, 4-[(dimethylamino)methylene]-3-(trifluoromethyl)-1,2-diazolin-5-one
| Molecular Formula | C7H8F3N3O |
|---|---|
| Molecular Weight | 207.06 g/mol |
| LogP | 0.48 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.06195 |
| Heavy Atoms | 14 |
| Complexity | 316.63193 |
Chemical Identifiers
| CAS Number | 339020-90-5 |
|---|---|
| SMILES | CN(C)/C=C\1/C(=NNC1=O)C(F)(F)F |
Product Overview
4-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 339020-90-5), with molecular formula C7H8F3N3O and molecular weight 207.06 g/mol. IUPAC: (4Z)-4-(dimethylaminomethylidene)-3-(trifluoromethyl)-1H-pyrazol-5-one.
Chemical Property Profile of 4-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 0.48 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 44.7 Ų, 4-[(dimethylamino)methylene]-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-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one has 1 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-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 339020-90-5.
What is the molecular formula of 4-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is C7H8F3N3O.
What is the molecular weight of 4-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 207.06 g/mol.
Where can I buy 4-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-[(dimethylamino)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-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(dimethylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.