![2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide structure](/static/products/5255/525577-30-4.webp)
2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide
TL;DR: 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide (CAS 525577-30-4) 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.
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-4-nitrobenzamide
Also Known As: 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide, 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-4-nitrobenzamide, (2-chloro-4-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 | 525577-30-4 |
|---|---|
| SMILES | CCN1C=C(C=N1)CNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide (CAS 525577-30-4), with molecular formula C13H13ClN4O3 and molecular weight 308.07 g/mol. IUPAC: 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-4-nitrobenzamide.
Chemical Property Profile of 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide
Property Insights of 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide
The XLogP value of 2.3946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-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 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide?
The CAS number of 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide is 525577-30-4.
What is the molecular formula of 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide?
The molecular formula of 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide is C13H13ClN4O3.
What is the molecular weight of 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide?
The molecular weight of 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide is 308.07 g/mol.
Where can I buy 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide?
You can request a quote for 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.