![4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide structure](/static/products/5128/512824-87-2.webp)
4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide
TL;DR: 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide (CAS 512824-87-2) is a chemical compound with molecular formula C18H15IN4O4 and molecular weight 478.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodo-1-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-5-carboxamide
Also Known As: 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide, 4-iodo-1-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]-1H-pyrazole-5-carboxamide, N-[3-nitro-5-(3-methylphenoxy)phenyl]-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
| Molecular Formula | C18H15IN4O4 |
|---|---|
| Molecular Weight | 478.01 g/mol |
| LogP | 4.28592 |
| Topological Polar Surface Area | 99.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.0138 |
| Heavy Atoms | 27 |
| Complexity | 1012.4511 |
Chemical Identifiers
| CAS Number | 512824-87-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3C)I |
Product Overview
4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide (CAS 512824-87-2), with molecular formula C18H15IN4O4 and molecular weight 478.01 g/mol. IUPAC: 4-iodo-1-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-5-carboxamide.
Chemical Property Profile of 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide
Property Insights of 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide
The XLogP value of 4.28592 indicates that 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-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 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-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 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide?
The CAS number of 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide is 512824-87-2.
What is the molecular formula of 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide?
The molecular formula of 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide is C18H15IN4O4.
What is the molecular weight of 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide?
The molecular weight of 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide is 478.01 g/mol.
Where can I buy 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide?
You can request a quote for 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-iodo-2-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.