1-(chloromethyl)-3-nitro-1H-pyrazole
TL;DR: 1-(chloromethyl)-3-nitro-1H-pyrazole (CAS 102388-00-1) is a chemical compound with molecular formula C4H4ClN3O2 and molecular weight 160.9992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(chloromethyl)-3-nitropyrazole
Also Known As: 1-(chloromethyl)-3-nitro-1H-pyrazole, 1-(chloromethyl)-3-nitropyrazole, 1-Chloromethyl-3-nitro-1H-pyrazole, 1H-Pyrazole, 1-(chloromethyl)-3-nitro-, 1-(chloromethyl)-3-nitro-pyrazole
Technical Specifications
| Molecular Formula | C4H4ClN3O2 |
| Molecular Weight | 160.9992 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.9992 Da |
| Heavy Atoms | 10 |
| Complexity | 137.0 |
| SMILES | C1=CN(N=C1[N+](=O)[O-])CCl |
| InChIKey | IAHWBFFRJXENRJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(chloromethyl)-3-nitro-1H-pyrazole
Property Insights of 1-(chloromethyl)-3-nitro-1H-pyrazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(chloromethyl)-3-nitro-1H-pyrazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(chloromethyl)-3-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 1-(chloromethyl)-3-nitro-1H-pyrazole has 0 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 1-(chloromethyl)-3-nitro-1H-pyrazole?
The CAS number of 1-(chloromethyl)-3-nitro-1H-pyrazole is 102388-00-1.
What is the molecular formula of 1-(chloromethyl)-3-nitro-1H-pyrazole?
The molecular formula of 1-(chloromethyl)-3-nitro-1H-pyrazole is C4H4ClN3O2.
What is the molecular weight of 1-(chloromethyl)-3-nitro-1H-pyrazole?
The molecular weight of 1-(chloromethyl)-3-nitro-1H-pyrazole is 160.9992 g/mol.
Where can I buy 1-(chloromethyl)-3-nitro-1H-pyrazole?
You can request a quote for 1-(chloromethyl)-3-nitro-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(chloromethyl)-3-nitro-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 1-(chloromethyl)-3-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.