3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide
TL;DR: 3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide (CAS 376614-82-3) is a chemical compound with molecular formula C11H18N4O3 and molecular weight 254.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-N,N,1-trimethyl-4-nitropyrazole-5-carboxamide
Also Known As: 5-tert-butyl-N,N,2-trimethyl-4-nitropyrazole-3-carboxamide, 3-(tert-butyl)-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide, 3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide, 5-tert-Butyl-2-methyl-4-nitro-2H-pyrazole-3-carboxylic acid dimethylamide
| Molecular Formula | C11H18N4O3 |
|---|---|
| Molecular Weight | 254.14 g/mol |
| LogP | 1.3276 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.1379 |
| Heavy Atoms | 18 |
| Complexity | 497.12198 |
Chemical Identifiers
| CAS Number | 376614-82-3 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)N(C)C)C |
Product Overview
3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide (CAS 376614-82-3), with molecular formula C11H18N4O3 and molecular weight 254.14 g/mol. IUPAC: 3-tert-butyl-N,N,1-trimethyl-4-nitropyrazole-5-carboxamide.
Chemical Property Profile of 3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide
Property Insights of 3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide
The XLogP value of 1.3276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide. The TPSA of 81.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, 3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide 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 3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide?
The CAS number of 3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide is 376614-82-3.
What is the molecular formula of 3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide?
The molecular formula of 3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide is C11H18N4O3.
What is the molecular weight of 3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide?
The molecular weight of 3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide is 254.14 g/mol.
Where can I buy 3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide?
You can request a quote for 3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide 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-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-butyl-N,N,1-trimethyl-4-nitro-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.