![N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide structure](/static/products/957/957294-44-9.png)
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide
TL;DR: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide (CAS 957294-44-9) is a chemical compound with molecular formula C20H18ClN5O5 and molecular weight 443.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide
Also Known As: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide, N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3,5-bisnitro-4-methylbenzamide, N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide, N-{1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl}(4-methyl-3,5-dinitroph enyl)carboxamide
| Molecular Formula | C20H18ClN5O5 |
|---|---|
| Molecular Weight | 443.10 g/mol |
| LogP | 4.57876 |
| Topological Polar Surface Area | 133.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.09964 |
| Heavy Atoms | 31 |
| Complexity | 1185.6599 |
Chemical Identifiers
| CAS Number | 957294-44-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3Cl)C)[N+](=O)[O-] |
Product Overview
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide (CAS 957294-44-9), with molecular formula C20H18ClN5O5 and molecular weight 443.10 g/mol. IUPAC: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide.
Chemical Property Profile of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide
Property Insights of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide
The XLogP value of 4.57876 indicates that N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide 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 N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide?
The CAS number of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide is 957294-44-9.
What is the molecular formula of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide?
The molecular formula of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide is C20H18ClN5O5.
What is the molecular weight of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide?
The molecular weight of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide is 443.10 g/mol.
Where can I buy N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide?
You can request a quote for N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.