2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide
TL;DR: 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide (CAS 489449-86-7) is a chemical compound with molecular formula C14H13N5O3S and molecular weight 331.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-5-carboxamide
Also Known As: 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide, 1-ethyl-4-nitro-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide, 1-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide, 2-ethyl-N-(4-methylbenzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide
| Molecular Formula | C14H13N5O3S |
|---|---|
| Molecular Weight | 331.07 g/mol |
| LogP | 2.98162 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.0739 |
| Heavy Atoms | 23 |
| Complexity | 914.4186 |
Chemical Identifiers
| CAS Number | 489449-86-7 |
|---|---|
| SMILES | CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NC3=C(C=CC=C3S2)C |
Product Overview
2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide (CAS 489449-86-7), with molecular formula C14H13N5O3S and molecular weight 331.07 g/mol. IUPAC: 1-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-5-carboxamide.
Chemical Property Profile of 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide
Property Insights of 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide
The XLogP value of 2.98162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide. Following Lipinski's Rule of Five, 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 6 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 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide?
The CAS number of 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide is 489449-86-7.
What is the molecular formula of 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide?
The molecular formula of 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide is C14H13N5O3S.
What is the molecular weight of 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide?
The molecular weight of 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide is 331.07 g/mol.
Where can I buy 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide?
You can request a quote for 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-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 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.