1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone
TL;DR: 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone (CAS 131394-09-7) is a chemical compound with molecular formula C6H6N4O5 and molecular weight 214.03381 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dinitropyrazol-1-yl)propan-2-one
Also Known As: 1-(3,4-dinitropyrazolyl)acetone, 1-acetonyl-3,4-dinitropyrazole, ZERO/008019, 1-(3,4-dinitro-1H-pyrazol-1-yl)propan-2-one, 1-(3,4-dinitropyrazol-1-yl)propan-2-one
Technical Specifications
| Molecular Formula | C6H6N4O5 |
| Molecular Weight | 214.03381 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.03381 Da |
| Heavy Atoms | 15 |
| Complexity | 295.0 |
| SMILES | CC(=O)CN1C=C(C(=N1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QPFQCQYRBRRLRK-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone
Property Insights of 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone. Following Lipinski's Rule of Five, 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone has 0 hydrogen bond donor(s) and 6 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-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone?
The CAS number of 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone is 131394-09-7.
What is the molecular formula of 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone?
The molecular formula of 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone is C6H6N4O5.
What is the molecular weight of 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone?
The molecular weight of 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone is 214.03381 g/mol.
Where can I buy 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone?
You can request a quote for 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone?
Yes, CoreyChem provides custom synthesis services for 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.