(1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone
TL;DR: (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone (CAS 132771-14-3) is a chemical compound with molecular formula C11H8N4O5 and molecular weight 276.04947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methyl-4-nitropyrazol-5-yl)-(3-nitrophenyl)methanone
Also Known As: 1-methyl-4-nitro-5-(3-nitrobenzoyl)pyrazole, (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone, (2-methyl-4-nitropyrazol-3-yl)-(3-nitrophenyl)methanone
Technical Specifications
| Molecular Formula | C11H8N4O5 |
| Molecular Weight | 276.04947 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.04947 Da |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
| SMILES | CN1C(=C(C=N1)[N+](=O)[O-])C(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | URZUYIHBTGEIQA-UHFFFAOYSA-N |
Chemical Property Profile of (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone
Property Insights of (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone. Following Lipinski's Rule of Five, (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone?
The CAS number of (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone is 132771-14-3.
What is the molecular formula of (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone?
The molecular formula of (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone is C11H8N4O5.
What is the molecular weight of (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone?
The molecular weight of (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone is 276.04947 g/mol.
Where can I buy (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone?
You can request a quote for (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone?
Yes, CoreyChem provides custom synthesis services for (1-methyl-4-nitro-1H-pyrazol-5-yl)(3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.