1-{5-nitro-2-thienyl}-1H-pyrazole
TL;DR: 1-{5-nitro-2-thienyl}-1H-pyrazole (CAS 74990-33-3) is a chemical compound with molecular formula C7H5N3O2S and molecular weight 195.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-nitrothiophen-2-yl)pyrazole
Also Known As: 1-{5-nitro-2-thienyl}-1H-pyrazole, 1-(5-nitrothiophen-2-yl)pyrazole, AI-942/13331064
| Molecular Formula | C7H5N3O2S |
|---|---|
| Molecular Weight | 195.01 g/mol |
| LogP | 1.842 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.01025 |
| Heavy Atoms | 13 |
| Complexity | 420.63934 |
Chemical Identifiers
| CAS Number | 74990-33-3 |
|---|---|
| SMILES | C1=CN(N=C1)C2=CC=C(S2)[N+](=O)[O-] |
Product Overview
1-{5-nitro-2-thienyl}-1H-pyrazole (CAS 74990-33-3), with molecular formula C7H5N3O2S and molecular weight 195.01 g/mol. IUPAC: 1-(5-nitrothiophen-2-yl)pyrazole.
Chemical Property Profile of 1-{5-nitro-2-thienyl}-1H-pyrazole
Property Insights of 1-{5-nitro-2-thienyl}-1H-pyrazole
The XLogP value of 1.842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{5-nitro-2-thienyl}-1H-pyrazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{5-nitro-2-thienyl}-1H-pyrazole. Following Lipinski's Rule of Five, 1-{5-nitro-2-thienyl}-1H-pyrazole has 0 hydrogen bond donor(s) and 4 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-{5-nitro-2-thienyl}-1H-pyrazole?
The CAS number of 1-{5-nitro-2-thienyl}-1H-pyrazole is 74990-33-3.
What is the molecular formula of 1-{5-nitro-2-thienyl}-1H-pyrazole?
The molecular formula of 1-{5-nitro-2-thienyl}-1H-pyrazole is C7H5N3O2S.
What is the molecular weight of 1-{5-nitro-2-thienyl}-1H-pyrazole?
The molecular weight of 1-{5-nitro-2-thienyl}-1H-pyrazole is 195.01 g/mol.
Where can I buy 1-{5-nitro-2-thienyl}-1H-pyrazole?
You can request a quote for 1-{5-nitro-2-thienyl}-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-{5-nitro-2-thienyl}-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-{5-nitro-2-thienyl}-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.