3-methoxy-4-nitro-1H-pyrazole
TL;DR: 3-methoxy-4-nitro-1H-pyrazole (CAS 400756-89-0) is a chemical compound with molecular formula C4H5N3O3 and molecular weight 143.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-4-nitro-1H-pyrazole
Also Known As: 3-methoxy-4-nitro-1H-pyrazole, 5-methoxy-4-nitro-1H-pyrazole, 3-Methoxy-4-nitropyrazole, 1H-Pyrazole,3-methoxy-4-nitro-(9CI), 5-methoxy-4-nitropyrazole
| Molecular Formula | C4H5N3O3 |
|---|---|
| Molecular Weight | 143.03 g/mol |
| LogP | 0.3265 |
| Topological Polar Surface Area | 81.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 143.0331 |
| Heavy Atoms | 10 |
| Complexity | 243.65079 |
Chemical Identifiers
| CAS Number | 400756-89-0 |
|---|---|
| SMILES | COC1=C(C=NN1)[N+](=O)[O-] |
Product Overview
3-methoxy-4-nitro-1H-pyrazole (CAS 400756-89-0), with molecular formula C4H5N3O3 and molecular weight 143.03 g/mol. IUPAC: 5-methoxy-4-nitro-1H-pyrazole.
Chemical Property Profile of 3-methoxy-4-nitro-1H-pyrazole
Property Insights of 3-methoxy-4-nitro-1H-pyrazole
The XLogP value of 0.3265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methoxy-4-nitro-1H-pyrazole. The TPSA of 81.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methoxy-4-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 3-methoxy-4-nitro-1H-pyrazole has 1 hydrogen bond donor(s) and 4 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 3-methoxy-4-nitro-1H-pyrazole?
The CAS number of 3-methoxy-4-nitro-1H-pyrazole is 400756-89-0.
What is the molecular formula of 3-methoxy-4-nitro-1H-pyrazole?
The molecular formula of 3-methoxy-4-nitro-1H-pyrazole is C4H5N3O3.
What is the molecular weight of 3-methoxy-4-nitro-1H-pyrazole?
The molecular weight of 3-methoxy-4-nitro-1H-pyrazole is 143.03 g/mol.
Where can I buy 3-methoxy-4-nitro-1H-pyrazole?
You can request a quote for 3-methoxy-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 3-methoxy-4-nitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-4-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.