3-(tert-butyl)-4-nitro-1H-pyrazole
TL;DR: 3-(tert-butyl)-4-nitro-1H-pyrazole (CAS 38858-95-6) is a chemical compound with molecular formula C7H11N3O2 and molecular weight 169.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-4-nitro-1H-pyrazole
Also Known As: 3-(tert-butyl)-4-nitro-1H-pyrazole, 5-tert-butyl-4-nitro-1H-pyrazole, 3-tert-butyl-4-nitro-1H-pyrazole, 4-Nitro-3(5)-tert.butyl-pyrazol, 3(5)-TERT-BUTYL-4-NITRO-1H-PYRAZOLE
| Molecular Formula | C7H11N3O2 |
|---|---|
| Molecular Weight | 169.09 g/mol |
| LogP | 1.6154 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.08513 |
| Heavy Atoms | 12 |
| Complexity | 297.84528 |
Chemical Identifiers
| CAS Number | 38858-95-6 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=NN1)[N+](=O)[O-] |
Product Overview
3-(tert-butyl)-4-nitro-1H-pyrazole (CAS 38858-95-6), with molecular formula C7H11N3O2 and molecular weight 169.09 g/mol. IUPAC: 5-tert-butyl-4-nitro-1H-pyrazole.
Chemical Property Profile of 3-(tert-butyl)-4-nitro-1H-pyrazole
Property Insights of 3-(tert-butyl)-4-nitro-1H-pyrazole
The XLogP value of 1.6154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(tert-butyl)-4-nitro-1H-pyrazole. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(tert-butyl)-4-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 3-(tert-butyl)-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 3-(tert-butyl)-4-nitro-1H-pyrazole?
The CAS number of 3-(tert-butyl)-4-nitro-1H-pyrazole is 38858-95-6.
What is the molecular formula of 3-(tert-butyl)-4-nitro-1H-pyrazole?
The molecular formula of 3-(tert-butyl)-4-nitro-1H-pyrazole is C7H11N3O2.
What is the molecular weight of 3-(tert-butyl)-4-nitro-1H-pyrazole?
The molecular weight of 3-(tert-butyl)-4-nitro-1H-pyrazole is 169.09 g/mol.
Where can I buy 3-(tert-butyl)-4-nitro-1H-pyrazole?
You can request a quote for 3-(tert-butyl)-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 3-(tert-butyl)-4-nitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(tert-butyl)-4-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.