![2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide structure](/static/products/5255/525577-20-2.webp)
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide
TL;DR: 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide (CAS 525577-20-2) is a chemical compound with molecular formula C12H11ClN4O3 and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide
Also Known As: 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide, 2-chloro-5-nitro-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzamide, 2-chloro-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-nitrobenzamide, (2-chloro-5-nitrophenyl)-N-[(1-methylpyrazol-4-yl)methyl]carboxamide
| Molecular Formula | C12H11ClN4O3 |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 1.9117 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.05197 |
| Heavy Atoms | 20 |
| Complexity | 668.4721 |
Chemical Identifiers
| CAS Number | 525577-20-2 |
|---|---|
| SMILES | CN1C=C(C=N1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl |
Product Overview
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide (CAS 525577-20-2), with molecular formula C12H11ClN4O3 and molecular weight 294.05 g/mol. IUPAC: 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide.
Chemical Property Profile of 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide
Property Insights of 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide
The XLogP value of 1.9117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-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-methylpyrazol-4-yl)methyl]-5-nitrobenzamide?
The CAS number of 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide is 525577-20-2.
What is the molecular formula of 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide?
The molecular formula of 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide is C12H11ClN4O3.
What is the molecular weight of 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide?
The molecular weight of 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide is 294.05 g/mol.
Where can I buy 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide?
You can request a quote for 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-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-methylpyrazol-4-yl)methyl]-5-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.