![3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one structure](/static/products/392/392729-62-3.png)
3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one
TL;DR: 3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one (CAS 392729-62-3) is a chemical compound with molecular formula C11H9N3O4 and molecular weight 247.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(2-nitrobenzoyl)-4H-pyrazol-3-one
Also Known As: 5-methyl-2-(2-nitrobenzoyl)-4H-pyrazol-3-one, 3-methyl-1-(2-nitrobenzoyl)-1h-pyrazol-5(4h)-one, 3-methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one
| Molecular Formula | C11H9N3O4 |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 1.3432 |
| Topological Polar Surface Area | 92.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.05931 |
| Heavy Atoms | 18 |
| Complexity | 579.406 |
Chemical Identifiers
| CAS Number | 392729-62-3 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one (CAS 392729-62-3), with molecular formula C11H9N3O4 and molecular weight 247.06 g/mol. IUPAC: 5-methyl-2-(2-nitrobenzoyl)-4H-pyrazol-3-one.
Chemical Property Profile of 3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one
Property Insights of 3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one
The XLogP value of 1.3432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one. The TPSA of 92.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one. Following Lipinski's Rule of Five, 3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one has 0 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 3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one?
The CAS number of 3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one is 392729-62-3.
What is the molecular formula of 3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one?
The molecular formula of 3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one is C11H9N3O4.
What is the molecular weight of 3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one?
The molecular weight of 3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one is 247.06 g/mol.
Where can I buy 3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one?
You can request a quote for 3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-[(2-nitrophenyl)carbonyl]-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.