Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate
TL;DR: Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate (CAS 4784-31-0) is a chemical compound with molecular formula C15H16ClN3O3 and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-chlorobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxylate
Also Known As: Maybridge3_007129, IDI1_018516, Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate, methyl 4-[(4-chlorobenzoyl)amino]-2-ethyl-5-methylpyrazole-3-carboxylate, methyl 4-[(4-chlorobenzoyl)amino]-1-ethyl-3-methyl-1h-pyrazole-5-carboxylate
| Molecular Formula | C15H16ClN3O3 |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 2.90372 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.088 |
| Heavy Atoms | 22 |
| Complexity | 707.56793 |
Chemical Identifiers
| CAS Number | 4784-31-0 |
|---|---|
| SMILES | CCN1C(=C(C(=N1)C)NC(=O)C2=CC=C(C=C2)Cl)C(=O)OC |
Product Overview
Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate (CAS 4784-31-0), with molecular formula C15H16ClN3O3 and molecular weight 321.09 g/mol. IUPAC: methyl 4-[(4-chlorobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxylate.
Chemical Property Profile of Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate
Property Insights of Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate
The XLogP value of 2.90372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate. Following Lipinski's Rule of Five, Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate 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 Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate?
The CAS number of Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate is 4784-31-0.
What is the molecular formula of Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate?
The molecular formula of Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate is C15H16ClN3O3.
What is the molecular weight of Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate?
The molecular weight of Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate is 321.09 g/mol.
Where can I buy Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate?
You can request a quote for Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-chlorobenzamido)-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.