N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
TL;DR: N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide (CAS 957310-85-9) is a chemical compound with molecular formula C18H19ClN6O3 and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
Also Known As: N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide, N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide, N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-{4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide
| Molecular Formula | C18H19ClN6O3 |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 3.25346 |
| Topological Polar Surface Area | 107.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.12073 |
| Heavy Atoms | 28 |
| Complexity | 1041.5209 |
Chemical Identifiers
| CAS Number | 957310-85-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Cl)C |
Product Overview
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide (CAS 957310-85-9), with molecular formula C18H19ClN6O3 and molecular weight 402.12 g/mol. IUPAC: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide.
Chemical Property Profile of N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
Property Insights of N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
The XLogP value of 3.25346 indicates that N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide. Following Lipinski's Rule of Five, N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide 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-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide?
The CAS number of N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide is 957310-85-9.
What is the molecular formula of N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide?
The molecular formula of N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide is C18H19ClN6O3.
What is the molecular weight of N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide?
The molecular weight of N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide is 402.12 g/mol.
Where can I buy N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide?
You can request a quote for N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.