1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone
TL;DR: 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone (CAS 1002651-00-4) is a chemical compound with molecular formula C8H11N3O3 and molecular weight 197.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-one
Also Known As: 1-(3,5-dimethyl-4-nitro-1h-pyrazol-1-yl)acetone, 1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propan-2-one, 1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-one, 1-(3,5-dimethyl-4-nitropyrazolyl)acetone, 1-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-propan-2-one
Technical Specifications
| Molecular Formula | C8H11N3O3 |
| Molecular Weight | 197.08005 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.08005 Da |
| Heavy Atoms | 14 |
| Complexity | 251.0 |
| SMILES | CC1=C(C(=NN1CC(=O)C)C)[N+](=O)[O-] |
| InChIKey | VJZWEQIULJNRTP-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone
Property Insights of 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone. Following Lipinski's Rule of Five, 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone 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-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone?
The CAS number of 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone is 1002651-00-4.
What is the molecular formula of 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone?
The molecular formula of 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone is C8H11N3O3.
What is the molecular weight of 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone?
The molecular weight of 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone is 197.08005 g/mol.
Where can I buy 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone?
You can request a quote for 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone?
Yes, CoreyChem provides custom synthesis services for 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.