5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide
TL;DR: 5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide (CAS 376385-67-0) is a chemical compound with molecular formula C9H14N4O3 and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-1-methyl-4-nitropyrazole-5-carboxamide
Also Known As: 5-tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide, 3-tert-butyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide, 3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide, 5-tert-Butyl-2-methyl-4-nitro-2H-pyrazole-3-carboxylic acid amide
| Molecular Formula | C9H14N4O3 |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 0.7247 |
| Topological Polar Surface Area | 104.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.1066 |
| Heavy Atoms | 16 |
| Complexity | 456.05453 |
Chemical Identifiers
| CAS Number | 376385-67-0 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)N)C |
Product Overview
5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide (CAS 376385-67-0), with molecular formula C9H14N4O3 and molecular weight 226.11 g/mol. IUPAC: 3-tert-butyl-1-methyl-4-nitropyrazole-5-carboxamide.
Chemical Property Profile of 5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide
Property Insights of 5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide
The XLogP value of 0.7247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide. The TPSA of 104.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide. Following Lipinski's Rule of Five, 5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide has 1 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 5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide?
The CAS number of 5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide is 376385-67-0.
What is the molecular formula of 5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide?
The molecular formula of 5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide is C9H14N4O3.
What is the molecular weight of 5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide?
The molecular weight of 5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide is 226.11 g/mol.
Where can I buy 5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide?
You can request a quote for 5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Tert-butyl-2-methyl-4-nitropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.