4-nitro-1H-pyrazole
TL;DR: 4-nitro-1H-pyrazole (CAS 2075-46-9) is a chemical compound with molecular formula C3H3N3O2 and molecular weight 113.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1H-pyrazole
Also Known As: 4-Nitro-1H-pyrazole, 4-Nitropyrazole, 1H-Pyrazole, 4-nitro-, 4-nitropyrazol, nitropyrazole
| Molecular Formula | C3H3N3O2 |
|---|---|
| Molecular Weight | 113.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.02253 |
| Heavy Atoms | 8 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 2075-46-9 |
|---|---|
| SMILES | C1=C(C=NN1)[N+](=O)[O-] |
| InChIKey | XORHNJQEWQGXCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-nitro-1H-pyrazole (CAS 2075-46-9), with molecular formula C3H3N3O2 and molecular weight 113.02 g/mol. IUPAC: 4-nitro-1H-pyrazole.
Chemical Property Profile of 4-nitro-1H-pyrazole
Property Insights of 4-nitro-1H-pyrazole
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-1H-pyrazole. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 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 4-nitro-1H-pyrazole?
The CAS number of 4-nitro-1H-pyrazole is 2075-46-9.
What is the molecular formula of 4-nitro-1H-pyrazole?
The molecular formula of 4-nitro-1H-pyrazole is C3H3N3O2.
What is the molecular weight of 4-nitro-1H-pyrazole?
The molecular weight of 4-nitro-1H-pyrazole is 113.02 g/mol.
Where can I buy 4-nitro-1H-pyrazole?
You can request a quote for 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 4-nitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.