1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one
TL;DR: 1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one (CAS 957511-87-4) is a chemical compound with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-3-nitropyrazol-1-yl)propan-2-one
Also Known As: 1-(5-Methyl-3-nitro-1H-pyrazol-1-yl)propan-2-one, 1-(5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)ACETONE, 1-(5-methyl-3-nitropyrazol-1-yl)propan-2-one, CHEMBRDG-BB 5904367, 1-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetone
| Molecular Formula | C7H9N3O3 |
|---|---|
| Molecular Weight | 183.06 g/mol |
| LogP | 0.68872 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.06439 |
| Heavy Atoms | 13 |
| Complexity | 355.86478 |
Chemical Identifiers
| CAS Number | 957511-87-4 |
|---|---|
| SMILES | CC1=CC(=NN1CC(=O)C)[N+](=O)[O-] |
Product Overview
1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one (CAS 957511-87-4), with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol. IUPAC: 1-(5-methyl-3-nitropyrazol-1-yl)propan-2-one.
Chemical Property Profile of 1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one
Property Insights of 1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one
The XLogP value of 0.68872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one. Following Lipinski's Rule of Five, 1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one 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-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one?
The CAS number of 1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one is 957511-87-4.
What is the molecular formula of 1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one?
The molecular formula of 1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one is C7H9N3O3.
What is the molecular weight of 1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one?
The molecular weight of 1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one is 183.06 g/mol.
Where can I buy 1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one?
You can request a quote for 1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Methyl-3-nitropyrazol-1-yl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.