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N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide
TL;DR: N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide (CAS 489410-35-7) 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-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide
Also Known As: N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide, N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide, N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-nitro-3-methylbenzamide, N~1~-[(1,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-3-METHYL-4-NITROBENZAMIDE
| Molecular Formula | C14H16N4O3 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 1.87514 |
| 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 | 706.2398 |
Chemical Identifiers
| CAS Number | 489410-35-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NCC2=C(N(N=C2)C)C)[N+](=O)[O-] |
Product Overview
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide (CAS 489410-35-7), with molecular formula C14H16N4O3 and molecular weight 288.12 g/mol. IUPAC: N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide.
Chemical Property Profile of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide
Property Insights of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide
The XLogP value of 1.87514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-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 N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide?
The CAS number of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide is 489410-35-7.
What is the molecular formula of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide?
The molecular formula of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide is C14H16N4O3.
What is the molecular weight of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide?
The molecular weight of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide is 288.12 g/mol.
Where can I buy N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide?
You can request a quote for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-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 N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.