1-methyl-4-nitro-1H-pyrazole
TL;DR: 1-methyl-4-nitro-1H-pyrazole (CAS 3994-50-1) 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.
1-methyl-4-nitropyrazole
Also Known As: 1-Methyl-4-nitro-1H-pyrazole, 1-Methyl-4-nitropyrazole, 1H-Pyrazole, 1-methyl-4-nitro-, PYRAZOLE, 1-METHYL-4-NITRO-, 4-Fluoro-D-phenylalanine
| Molecular Formula | C4H5N3O2 |
|---|---|
| Molecular Weight | 127.04 g/mol |
| LogP | 0.1 |
| 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 | 3994-50-1 |
|---|---|
| SMILES | CN1C=C(C=N1)[N+](=O)[O-] |
| InChIKey | CZVJIVYLYOVBRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-methyl-4-nitro-1H-pyrazole (CAS 3994-50-1), with molecular formula C4H5N3O2 and molecular weight 127.04 g/mol. IUPAC: 1-methyl-4-nitropyrazole.
Chemical Property Profile of 1-methyl-4-nitro-1H-pyrazole
Property Insights of 1-methyl-4-nitro-1H-pyrazole
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-4-nitro-1H-pyrazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-4-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 1-methyl-4-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
Frequently Asked Questions
What is the CAS number of 1-methyl-4-nitro-1H-pyrazole?
The CAS number of 1-methyl-4-nitro-1H-pyrazole is 3994-50-1.
What is the molecular formula of 1-methyl-4-nitro-1H-pyrazole?
The molecular formula of 1-methyl-4-nitro-1H-pyrazole is C4H5N3O2.
What is the molecular weight of 1-methyl-4-nitro-1H-pyrazole?
The molecular weight of 1-methyl-4-nitro-1H-pyrazole is 127.04 g/mol.
Where can I buy 1-methyl-4-nitro-1H-pyrazole?
You can request a quote for 1-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 1-methyl-4-nitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-4-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.