![5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/6853/68538-05-6.webp)
5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 68538-05-6) is a chemical compound with molecular formula C17H14N4O3 and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(4-nitrophenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one
Also Known As: pyrazolone, 3-13, 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, BAS 00656752, 1C-092, AE-641/01958059
| Molecular Formula | C17H14N4O3 |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.1066 |
| Heavy Atoms | 24 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 68538-05-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | IVKWMUZROLZERW-UHFFFAOYSA-N |
Product Overview
5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 68538-05-6), with molecular formula C17H14N4O3 and molecular weight 322.11 g/mol. IUPAC: 5-methyl-4-[(4-nitrophenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 3.2 indicates that 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one has 1 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 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is 68538-05-6.
What is the molecular formula of 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is C17H14N4O3.
What is the molecular weight of 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is 322.11 g/mol.
Where can I buy 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-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 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-[(4-nitroanilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.