TL;DR: 3-methyl-1H-pyrazole-4,5-dione 4-{N-[3-(trifluoromethyl)phenyl]hydrazone} (CAS 121831-74-1) is a chemical compound with molecular formula C11H9F3N4O and molecular weight 270.07285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]-1,2-dihydropyrazol-3-one
Also Known As: 3-methyl-1H-pyrazole-4,5-dione 4-{N-[3-(trifluoromethyl)phenyl]hydrazone}, 3B-058, 5-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]-1,2-dihydropyrazol-3-one, 5-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]pyrazol-3-one, (4Z)-3-methyl-4-{2-[3-(trifluoromethyl)phenyl]hydrazin-1-ylidene}-4,5-dihydro-1H-pyrazol-5-one
| Molecular Formula | C11H9F3N4O |
| Molecular Weight | 270.07285 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 65.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.07285 Da |
| Heavy Atoms | 19 |
| Complexity | 430.0 |
| SMILES | CC1=C(C(=O)NN1)N=NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | HFQGNLGUOYZYHB-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 3-methyl-1H-pyrazole-4,5-dione 4-{N-[3-(trifluoromethyl)phenyl]hydrazone} is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-1H-pyrazole-4,5-dione 4-{N-[3-(trifluoromethyl)phenyl]hydrazone}. Following Lipinski's Rule of Five, 3-methyl-1H-pyrazole-4,5-dione 4-{N-[3-(trifluoromethyl)phenyl]hydrazone} has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-methyl-1H-pyrazole-4,5-dione 4-{N-[3-(trifluoromethyl)phenyl]hydrazone} is 121831-74-1.
The molecular formula of 3-methyl-1H-pyrazole-4,5-dione 4-{N-[3-(trifluoromethyl)phenyl]hydrazone} is C11H9F3N4O.
The molecular weight of 3-methyl-1H-pyrazole-4,5-dione 4-{N-[3-(trifluoromethyl)phenyl]hydrazone} is 270.07285 g/mol.
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