2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide
TL;DR: 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide (CAS 490031-73-7) is a chemical compound with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-5-carboxamide
Also Known As: 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide, 1,3-dimethyl-N-[2-(methylsulfanyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide, 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitro-pyrazole-3-carboxamide, 4-nitro-1,3-dimethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-5-carboxamide
| Molecular Formula | C13H14N4O3S |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 2.61092 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.07867 |
| Heavy Atoms | 21 |
| Complexity | 711.4371 |
Chemical Identifiers
| CAS Number | 490031-73-7 |
|---|---|
| SMILES | CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2SC)C |
Product Overview
2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide (CAS 490031-73-7), with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol. IUPAC: 1,3-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-5-carboxamide.
Chemical Property Profile of 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide
Property Insights of 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide
The XLogP value of 2.61092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide. Following Lipinski's Rule of Five, 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 5 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 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide?
The CAS number of 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide is 490031-73-7.
What is the molecular formula of 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide?
The molecular formula of 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide is C13H14N4O3S.
What is the molecular weight of 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide?
The molecular weight of 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide is 306.08 g/mol.
Where can I buy 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide?
You can request a quote for 2,5-dimethyl-N-(2-methylsulfanylphenyl)-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 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.