![2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/3204/320425-08-9.webp)
2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 320425-08-9) is a chemical compound with molecular formula C12H9F3N4O3 and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-[(4-nitrophenyl)iminomethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: 2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-1-methyl-4-{[(4-nitrophenyl)amino]methylidene}-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one, 2-methyl-4-[(4-nitroanilino)methylidene]-5-(trifluoromethyl)pyrazol-3-one, (4Z)-2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)pyrazol-3-one, (4Z)-2-methyl-4-[(4-nitroanilino)methylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C12H9F3N4O3 |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 2.391 |
| Topological Polar Surface Area | 93.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.06268 |
| Heavy Atoms | 22 |
| Complexity | 787.4283 |
Chemical Identifiers
| CAS Number | 320425-08-9 |
|---|---|
| SMILES | CN1C(=O)C(=C(N1)C(F)(F)F)C=NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 320425-08-9), with molecular formula C12H9F3N4O3 and molecular weight 314.06 g/mol. IUPAC: 2-methyl-4-[(4-nitrophenyl)iminomethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of 2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 2.391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 93.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 4 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 2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 320425-08-9.
What is the molecular formula of 2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is C12H9F3N4O3.
What is the molecular weight of 2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 314.06 g/mol.
Where can I buy 2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-methyl-4-[(4-nitroanilino)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 2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.