4-Methyl-1-nitropyrazole
TL;DR: 4-Methyl-1-nitropyrazole (CAS 38858-82-1) is a chemical compound with molecular formula C4H5N3O2 and molecular weight 127.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-nitropyrazole
Also Known As: 4-Methyl-1-nitro-1H-pyrazole, 4-Methyl-1-nitropyrazole, 1H-Pyrazole,4-methyl-1-nitro-(9CI), 1H-Pyrazole, 4-methyl-1-nitro-, 4-Methyl-1-nitro-1H-pyrazole #
| Molecular Formula | C4H5N3O2 |
|---|---|
| Molecular Weight | 127.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.03818 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 38858-82-1 |
|---|---|
| SMILES | CC1=CN(N=C1)[N+](=O)[O-] |
| InChIKey | CJGXUQYECQSYAV-UHFFFAOYSA-N |
Product Overview
4-Methyl-1-nitropyrazole (CAS 38858-82-1), with molecular formula C4H5N3O2 and molecular weight 127.04 g/mol. IUPAC: 4-methyl-1-nitropyrazole.
Chemical Property Profile of 4-Methyl-1-nitropyrazole
Property Insights of 4-Methyl-1-nitropyrazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1-nitropyrazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-1-nitropyrazole. Following Lipinski's Rule of Five, 4-Methyl-1-nitropyrazole 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
Frequently Asked Questions
What is the CAS number of 4-Methyl-1-nitropyrazole?
The CAS number of 4-Methyl-1-nitropyrazole is 38858-82-1.
What is the molecular formula of 4-Methyl-1-nitropyrazole?
The molecular formula of 4-Methyl-1-nitropyrazole is C4H5N3O2.
What is the molecular weight of 4-Methyl-1-nitropyrazole?
The molecular weight of 4-Methyl-1-nitropyrazole is 127.04 g/mol.
Where can I buy 4-Methyl-1-nitropyrazole?
You can request a quote for 4-Methyl-1-nitropyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1-nitropyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1-nitropyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.