![4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide structure](/static/products/525/525577-17-7.png)
4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide
TL;DR: 4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide (CAS 525577-17-7) is a chemical compound with molecular formula C13H13ClN4O3 and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-3-nitrobenzamide
Also Known As: 4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide, 4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-3-nitrobenzamide, (4-chloro-3-nitrophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]carboxamide
| Molecular Formula | C13H13ClN4O3 |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 2.3946 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.06763 |
| Heavy Atoms | 21 |
| Complexity | 683.8059 |
Chemical Identifiers
| CAS Number | 525577-17-7 |
|---|---|
| SMILES | CCN1C=C(C=N1)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide (CAS 525577-17-7), with molecular formula C13H13ClN4O3 and molecular weight 308.07 g/mol. IUPAC: 4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-3-nitrobenzamide.
Chemical Property Profile of 4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide
Property Insights of 4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide
The XLogP value of 2.3946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide has 1 hydrogen bond donor(s) and 4 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-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide?
The CAS number of 4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide is 525577-17-7.
What is the molecular formula of 4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide?
The molecular formula of 4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide is C13H13ClN4O3.
What is the molecular weight of 4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide?
The molecular weight of 4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide is 308.07 g/mol.
Where can I buy 4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide?
You can request a quote for 4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.