3,4-dinitro-1H-pyrazole
TL;DR: 3,4-dinitro-1H-pyrazole (CAS 38858-92-3) 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.
4,5-dinitro-1H-pyrazole
Also Known As: 3,4-dinitro-1H-pyrazole, 4,5-dinitro-1H-pyrazole, 1H-PYRAZOLE, 3,4-DINITRO-, 3,4-dinitropyrazole, 4,5-dinitropyrazole
| Molecular Formula | C3H2N4O4 |
|---|---|
| Molecular Weight | 158.01 g/mol |
| LogP | 0.2261 |
| Topological Polar Surface Area | 114.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0076 |
| Heavy Atoms | 11 |
| Complexity | 275.54074 |
Chemical Identifiers
| CAS Number | 38858-92-3 |
|---|---|
| SMILES | C1=NNC(=C1[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,4-dinitro-1H-pyrazole (CAS 38858-92-3), with molecular formula C3H2N4O4 and molecular weight 158.01 g/mol. IUPAC: 4,5-dinitro-1H-pyrazole.
Chemical Property Profile of 3,4-dinitro-1H-pyrazole
Property Insights of 3,4-dinitro-1H-pyrazole
The XLogP value of 0.2261 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dinitro-1H-pyrazole. The TPSA of 114.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dinitro-1H-pyrazole. Following Lipinski's Rule of Five, 3,4-dinitro-1H-pyrazole 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 3,4-dinitro-1H-pyrazole?
The CAS number of 3,4-dinitro-1H-pyrazole is 38858-92-3.
What is the molecular formula of 3,4-dinitro-1H-pyrazole?
The molecular formula of 3,4-dinitro-1H-pyrazole is C3H2N4O4.
What is the molecular weight of 3,4-dinitro-1H-pyrazole?
The molecular weight of 3,4-dinitro-1H-pyrazole is 158.01 g/mol.
Where can I buy 3,4-dinitro-1H-pyrazole?
You can request a quote for 3,4-dinitro-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dinitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dinitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.