![N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide structure](/static/products/955/955900-74-0.png)
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide
TL;DR: N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide (CAS 955900-74-0) is a chemical compound with molecular formula C14H16N4O3 and molecular weight 288.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide
Also Known As: N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide, N-[(1,5-dimethylpyrazol-4-yl)ethyl](3-nitrophenyl)carboxamide, N-[1-(15-DIMETHYL-1H-PYRAZOL-4-YL)ETHYL]-3-NITROBENZAMIDE
| Molecular Formula | C14H16N4O3 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 2.12772 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.12225 |
| Heavy Atoms | 21 |
| Complexity | 693.2776 |
Chemical Identifiers
| CAS Number | 955900-74-0 |
|---|---|
| SMILES | CC1=C(C=NN1C)C(C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide (CAS 955900-74-0), with molecular formula C14H16N4O3 and molecular weight 288.12 g/mol. IUPAC: N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide.
Chemical Property Profile of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide
Property Insights of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide
The XLogP value of 2.12772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-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 N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide?
The CAS number of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide is 955900-74-0.
What is the molecular formula of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide?
The molecular formula of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide is C14H16N4O3.
What is the molecular weight of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide?
The molecular weight of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide is 288.12 g/mol.
Where can I buy N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide?
You can request a quote for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.