1-(3-Nitropyrazol-1-yl)propan-2-one
TL;DR: 1-(3-Nitropyrazol-1-yl)propan-2-one (CAS 131394-08-6) is a chemical compound with molecular formula C6H7N3O3 and molecular weight 169.04874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-nitropyrazol-1-yl)propan-2-one
Also Known As: 1-(3-NITRO-1H-PYRAZOL-1-YL)ACETONE, 1-(3-nitropyrazol-1-yl)propan-2-one, N-acetonylnitropyrazole, 1-(3-nitro-1H-pyrazol-1-yl)propan-2-one, 1-(3-nitropyrazolyl)acetone
Technical Specifications
| Molecular Formula | C6H7N3O3 |
| Molecular Weight | 169.04874 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.04874 Da |
| Heavy Atoms | 12 |
| Complexity | 201.0 |
| SMILES | CC(=O)CN1C=CC(=N1)[N+](=O)[O-] |
| InChIKey | RIBGYLUDUASCIU-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Nitropyrazol-1-yl)propan-2-one
Property Insights of 1-(3-Nitropyrazol-1-yl)propan-2-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Nitropyrazol-1-yl)propan-2-one. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitropyrazol-1-yl)propan-2-one. Following Lipinski's Rule of Five, 1-(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
What is the CAS number of 1-(3-Nitropyrazol-1-yl)propan-2-one?
The CAS number of 1-(3-Nitropyrazol-1-yl)propan-2-one is 131394-08-6.
What is the molecular formula of 1-(3-Nitropyrazol-1-yl)propan-2-one?
The molecular formula of 1-(3-Nitropyrazol-1-yl)propan-2-one is C6H7N3O3.
What is the molecular weight of 1-(3-Nitropyrazol-1-yl)propan-2-one?
The molecular weight of 1-(3-Nitropyrazol-1-yl)propan-2-one is 169.04874 g/mol.
Where can I buy 1-(3-Nitropyrazol-1-yl)propan-2-one?
You can request a quote for 1-(3-Nitropyrazol-1-yl)propan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Nitropyrazol-1-yl)propan-2-one?
Yes, CoreyChem provides custom synthesis services for 1-(3-Nitropyrazol-1-yl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.