N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide
TL;DR: N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide (CAS 489449-90-3) is a chemical compound with molecular formula C14H16ClN3O and molecular weight 277.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide
Also Known As: N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide, N-[(4-chlorophenyl)methyl]-1-ethyl-5-methyl-pyrazole-4-carboxamide, N-[(4-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide, N~4~-(4-CHLOROBENZYL)-1-ETHYL-5-METHYL-1H-PYRAZOLE-4-CARBOXAMIDE
| Molecular Formula | C14H16ClN3O |
|---|---|
| Molecular Weight | 277.10 g/mol |
| LogP | 2.79482 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.09818 |
| Heavy Atoms | 19 |
| Complexity | 574.8771 |
Chemical Identifiers
| CAS Number | 489449-90-3 |
|---|---|
| SMILES | CCN1C(=C(C=N1)C(=O)NCC2=CC=C(C=C2)Cl)C |
Product Overview
N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide (CAS 489449-90-3), with molecular formula C14H16ClN3O and molecular weight 277.10 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide.
Chemical Property Profile of N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide
Property Insights of N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide
The XLogP value of 2.79482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide. With a topological polar surface area (TPSA) of 46.92 Ų, N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide has 1 hydrogen bond donor(s) and 2 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-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide?
The CAS number of N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide is 489449-90-3.
What is the molecular formula of N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide?
The molecular formula of N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide is C14H16ClN3O.
What is the molecular weight of N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide?
The molecular weight of N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide is 277.10 g/mol.
Where can I buy N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide?
You can request a quote for N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorobenzyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.