4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide
TL;DR: 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide (CAS 515847-89-9) is a chemical compound with molecular formula C9H9N5O4 and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide
Also Known As: 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide, 1H-Pyrazole-5-carboxamide,1-methyl-N-(5-methyl-3-isoxazolyl)-4-nitro-(9CI), 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide, 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide, 1-METHYL-N-(5-METHYL-3-ISOXAZOLYL)-4-NITRO-1H-PYRAZOLE-5-CARBOXAMIDE
| Molecular Formula | C9H9N5O4 |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 0.87702 |
| Topological Polar Surface Area | 116.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.06546 |
| Heavy Atoms | 18 |
| Complexity | 614.25665 |
Chemical Identifiers
| CAS Number | 515847-89-9 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)C2=C(C=NN2C)[N+](=O)[O-] |
Product Overview
4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide (CAS 515847-89-9), with molecular formula C9H9N5O4 and molecular weight 251.07 g/mol. IUPAC: 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide.
Chemical Property Profile of 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide
Property Insights of 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide
The XLogP value of 0.87702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide. The TPSA of 116.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-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 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide?
The CAS number of 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide is 515847-89-9.
What is the molecular formula of 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide?
The molecular formula of 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide is C9H9N5O4.
What is the molecular weight of 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide?
The molecular weight of 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide is 251.07 g/mol.
Where can I buy 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide?
You can request a quote for 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-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 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.