5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester
TL;DR: 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester (CAS 91857-70-4) is a chemical compound with molecular formula C15H19N3O2 and molecular weight 273.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(dimethylamino)-1-methyl-3-phenylpyrazole-5-carboxylate
Also Known As: 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester, Ethyl 4-(dimethylamino)-1-methyl-3-phenyl-1H-pyrazole-5-carboxylate, Ethyl 4-dimethylamino-3-phenyl-1-methyl-(1H)-pyrazole-5-carboxylate, 4-(Dimethylamino)-1-methyl-3-phenyl-5-pyrazolecarboxylic acid ethyl ester, ethyl 4-(dimethylamino)-2-methyl-5-phenylpyrazole-3-carboxylate
| Molecular Formula | C15H19N3O2 |
|---|---|
| Molecular Weight | 273.15 g/mol |
| LogP | 2.3298 |
| Topological Polar Surface Area | 47.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.14774 |
| Heavy Atoms | 20 |
| Complexity | 603.08124 |
Chemical Identifiers
| CAS Number | 91857-70-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NN1C)C2=CC=CC=C2)N(C)C |
Product Overview
5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester (CAS 91857-70-4), with molecular formula C15H19N3O2 and molecular weight 273.15 g/mol. IUPAC: ethyl 4-(dimethylamino)-1-methyl-3-phenylpyrazole-5-carboxylate.
Chemical Property Profile of 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester
Property Insights of 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester
The XLogP value of 2.3298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester. With a topological polar surface area (TPSA) of 47.36 Ų, 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester has 0 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 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester?
The CAS number of 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester is 91857-70-4.
What is the molecular formula of 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester?
The molecular formula of 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester is C15H19N3O2.
What is the molecular weight of 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester?
The molecular weight of 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester is 273.15 g/mol.
Where can I buy 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester?
You can request a quote for 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.