3,5-Dinitropyrazole
TL;DR: 3,5-Dinitropyrazole (CAS 38858-89-8) is a chemical compound with molecular formula C3H2N4O4 and molecular weight 158.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-1H-pyrazole
Also Known As: 3,5-dinitro-1H-pyrazole, 3,5-Dinitropyrazole, dinitropyrazole, 3,5-Dinitropyrazol, 1H-Pyrazole, 3,5-dinitro-
| Molecular Formula | C3H2N4O4 |
|---|---|
| Molecular Weight | 158.01 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.0076 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 38858-89-8 |
|---|---|
| SMILES | C1=C(NN=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UKZXCZWGGXVKNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dinitropyrazole (CAS 38858-89-8), with molecular formula C3H2N4O4 and molecular weight 158.01 g/mol. IUPAC: 3,5-dinitro-1H-pyrazole.
Chemical Property Profile of 3,5-Dinitropyrazole
Property Insights of 3,5-Dinitropyrazole
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitropyrazole. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dinitropyrazole. Following Lipinski's Rule of Five, 3,5-Dinitropyrazole has 1 hydrogen bond donor(s) and 5 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 3,5-Dinitropyrazole?
The CAS number of 3,5-Dinitropyrazole is 38858-89-8.
What is the molecular formula of 3,5-Dinitropyrazole?
The molecular formula of 3,5-Dinitropyrazole is C3H2N4O4.
What is the molecular weight of 3,5-Dinitropyrazole?
The molecular weight of 3,5-Dinitropyrazole is 158.01 g/mol.
Where can I buy 3,5-Dinitropyrazole?
You can request a quote for 3,5-Dinitropyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitropyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitropyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.