3-Nitropyrazole
TL;DR: 3-Nitropyrazole (CAS 26621-44-3) is a chemical compound with molecular formula C3H3N3O2 and molecular weight 113.02253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitro-1H-pyrazole
Also Known As: 3-Nitro-1H-pyrazole, 3-Nitropyrazole, 5-nitro-1H-pyrazole, 1H-Pyrazole, 3-nitro-, nitropyrazole
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H3N3O2 |
| Molecular Weight | 113.02253 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.02253 Da |
| Heavy Atoms | 8 |
| Complexity | 99.0 |
| SMILES | C1=C(NN=C1)[N+](=O)[O-] |
| InChIKey | MZRUFMBFIKGOAL-UHFFFAOYSA-N |
Chemical Property Profile of 3-Nitropyrazole
Property Insights of 3-Nitropyrazole
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitropyrazole. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitropyrazole. Following Lipinski's Rule of Five, 3-Nitropyrazole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Nitropyrazole?
The CAS number of 3-Nitropyrazole is 26621-44-3.
What is the molecular formula of 3-Nitropyrazole?
The molecular formula of 3-Nitropyrazole is C3H3N3O2.
What is the molecular weight of 3-Nitropyrazole?
The molecular weight of 3-Nitropyrazole is 113.02253 g/mol.
Where can I buy 3-Nitropyrazole?
You can request a quote for 3-Nitropyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitropyrazole?
Yes, CoreyChem provides custom synthesis services for 3-Nitropyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.