1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone
TL;DR: 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone (CAS 28203-59-0) is a chemical compound with molecular formula C6H7N3O3 and molecular weight 169.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-methyl-4-nitropyrazol-3-yl)ethanone
Also Known As: 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone, Ethanone,1- -, 1-(1-methyl-4-nitropyrazol-3-yl)ethanone, Phenylmethanesulfonyl-acetic acid, 3-acetyl-1-methyl-4-nitropyrazole
| Molecular Formula | C6H7N3O3 |
|---|---|
| Molecular Weight | 169.05 g/mol |
| LogP | 0.5309 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.04874 |
| Heavy Atoms | 12 |
| Complexity | 310.30756 |
Chemical Identifiers
| CAS Number | 28203-59-0 |
|---|---|
| SMILES | CC(=O)C1=NN(C=C1[N+](=O)[O-])C |
Product Overview
1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone (CAS 28203-59-0), with molecular formula C6H7N3O3 and molecular weight 169.05 g/mol. IUPAC: 1-(1-methyl-4-nitropyrazol-3-yl)ethanone.
Chemical Property Profile of 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone
Property Insights of 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone
The XLogP value of 0.5309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone. Following Lipinski's Rule of Five, 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone 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
Frequently Asked Questions
What is the CAS number of 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone?
The CAS number of 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone is 28203-59-0.
What is the molecular formula of 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone?
The molecular formula of 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone is C6H7N3O3.
What is the molecular weight of 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone?
The molecular weight of 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone is 169.05 g/mol.
Where can I buy 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone?
You can request a quote for 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.