1,4-dinitro-1H-pyrazole
TL;DR: 1,4-dinitro-1H-pyrazole (CAS 35852-77-8) 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.
1,4-dinitropyrazole
Also Known As: 1,4-dinitro-1H-pyrazole, 1,4-dinitropyrazole, 1H-Pyrazole,1,4-dinitro, 1,4-Di-nitro-1H-pyrazole, 1H-Pyrazole, 1,4-dinitro-
| Molecular Formula | C3H2N4O4 |
|---|---|
| Molecular Weight | 158.01 g/mol |
| LogP | -0.1689 |
| Topological Polar Surface Area | 104.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0076 |
| Heavy Atoms | 11 |
| Complexity | 275.54074 |
Chemical Identifiers
| CAS Number | 35852-77-8 |
|---|---|
| SMILES | C1=C(C=NN1[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,4-dinitro-1H-pyrazole (CAS 35852-77-8), with molecular formula C3H2N4O4 and molecular weight 158.01 g/mol. IUPAC: 1,4-dinitropyrazole.
Chemical Property Profile of 1,4-dinitro-1H-pyrazole
Property Insights of 1,4-dinitro-1H-pyrazole
The XLogP value of -0.1689 indicates that 1,4-dinitro-1H-pyrazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-dinitro-1H-pyrazole. Following Lipinski's Rule of Five, 1,4-dinitro-1H-pyrazole has 0 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 1,4-dinitro-1H-pyrazole?
The CAS number of 1,4-dinitro-1H-pyrazole is 35852-77-8.
What is the molecular formula of 1,4-dinitro-1H-pyrazole?
The molecular formula of 1,4-dinitro-1H-pyrazole is C3H2N4O4.
What is the molecular weight of 1,4-dinitro-1H-pyrazole?
The molecular weight of 1,4-dinitro-1H-pyrazole is 158.01 g/mol.
Where can I buy 1,4-dinitro-1H-pyrazole?
You can request a quote for 1,4-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 1,4-dinitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1,4-dinitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.