N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
TL;DR: N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide (CAS 512825-22-8) is a chemical compound with molecular formula C19H17IN4O4 and molecular weight 492.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-4-iodo-1-methylpyrazole-5-carboxamide
Also Known As: N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide, N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-4-iodo-1-methyl-1H-pyrazole-5-carboxamide, N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-4-iodo-2-methylpyrazole-3-carboxamide
| Molecular Formula | C19H17IN4O4 |
|---|---|
| Molecular Weight | 492.03 g/mol |
| LogP | 4.59434 |
| Topological Polar Surface Area | 99.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.02945 |
| Heavy Atoms | 28 |
| Complexity | 1038.0408 |
Chemical Identifiers
| CAS Number | 512825-22-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3C)I)C |
Product Overview
N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide (CAS 512825-22-8), with molecular formula C19H17IN4O4 and molecular weight 492.03 g/mol. IUPAC: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-4-iodo-1-methylpyrazole-5-carboxamide.
Chemical Property Profile of N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
Property Insights of N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
The XLogP value of 4.59434 indicates that N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.29 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-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 N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide?
The CAS number of N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide is 512825-22-8.
What is the molecular formula of N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide?
The molecular formula of N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide is C19H17IN4O4.
What is the molecular weight of N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide?
The molecular weight of N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide is 492.03 g/mol.
Where can I buy N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide?
You can request a quote for N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-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 N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.