5-Chloro-3-methyl-4-nitro-1H-pyrazole
TL;DR: 5-Chloro-3-methyl-4-nitro-1H-pyrazole (CAS 6814-58-0) is a chemical compound with molecular formula C4H4ClN3O2 and molecular weight 161.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-methyl-4-nitro-1H-pyrazole
Also Known As: 5-CHLORO-3-METHYL-4-NITRO-1H-PYRAZOLE, Pyrazachlor, Release, CMNP, CMN pyrazole
| Molecular Formula | C4H4ClN3O2 |
|---|---|
| Molecular Weight | 161.00 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.9992 |
| Heavy Atoms | 10 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 6814-58-0 |
|---|---|
| SMILES | CC1=C(C(=NN1)Cl)[N+](=O)[O-] |
| InChIKey | ZCHRCALASPNJEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-3-methyl-4-nitro-1H-pyrazole (CAS 6814-58-0), with molecular formula C4H4ClN3O2 and molecular weight 161.00 g/mol. IUPAC: 3-chloro-5-methyl-4-nitro-1H-pyrazole.
Chemical Property Profile of 5-Chloro-3-methyl-4-nitro-1H-pyrazole
Property Insights of 5-Chloro-3-methyl-4-nitro-1H-pyrazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-3-methyl-4-nitro-1H-pyrazole. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-3-methyl-4-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 5-Chloro-3-methyl-4-nitro-1H-pyrazole 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
Frequently Asked Questions
What is the CAS number of 5-Chloro-3-methyl-4-nitro-1H-pyrazole?
The CAS number of 5-Chloro-3-methyl-4-nitro-1H-pyrazole is 6814-58-0.
What is the molecular formula of 5-Chloro-3-methyl-4-nitro-1H-pyrazole?
The molecular formula of 5-Chloro-3-methyl-4-nitro-1H-pyrazole is C4H4ClN3O2.
What is the molecular weight of 5-Chloro-3-methyl-4-nitro-1H-pyrazole?
The molecular weight of 5-Chloro-3-methyl-4-nitro-1H-pyrazole is 161.00 g/mol.
Where can I buy 5-Chloro-3-methyl-4-nitro-1H-pyrazole?
You can request a quote for 5-Chloro-3-methyl-4-nitro-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-3-methyl-4-nitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-3-methyl-4-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.