(1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone
TL;DR: (1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone (CAS 151599-41-6) is a chemical compound with molecular formula C11H9N3O3 and molecular weight 231.06439 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methyl-4-nitropyrazol-3-yl)-phenylmethanone
Also Known As: 3-benzoyl-1-methyl-4-nitro-1H-pyrazole, BAS 00396165, (1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone, (1-methyl-4-nitropyrazol-3-yl)-phenylmethanone, (1-methyl-4-nitro-1H-pyrazol-3-yl)(phenyl)methanone
Technical Specifications
| Molecular Formula | C11H9N3O3 |
| Molecular Weight | 231.06439 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.06439 Da |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
| SMILES | CN1C=C(C(=N1)C(=O)C2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | HIUCABRWQSMNDO-UHFFFAOYSA-N |
Chemical Property Profile of (1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone
Property Insights of (1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone. Following Lipinski's Rule of Five, (1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone has 0 hydrogen bond donor(s) and 4 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-3-yl)phenylmethanone?
The CAS number of (1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone is 151599-41-6.
What is the molecular formula of (1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone?
The molecular formula of (1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone is C11H9N3O3.
What is the molecular weight of (1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone?
The molecular weight of (1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone is 231.06439 g/mol.
Where can I buy (1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone?
You can request a quote for (1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone 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-3-yl)phenylmethanone?
Yes, CoreyChem provides custom synthesis services for (1-Methyl-4-nitro-1H-pyrazol-3-yl)phenylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.