3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
TL;DR: 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester (CAS 89193-18-0) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
Also Known As: 1y2c, 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, RARECHEMALBI0565, Pyrazole carboxylic ester 8, ethyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 89193-18-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C |
| InChIKey | BUIZDUYEIRRDAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester (CAS 89193-18-0), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: ethyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate.
Chemical Property Profile of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
Property Insights of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
The XLogP value of 3.1 indicates that 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester has 0 hydrogen bond donor(s) and 3 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 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester?
The CAS number of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester is 89193-18-0.
What is the molecular formula of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester?
The molecular formula of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester is C14H16N2O2.
What is the molecular weight of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester?
The molecular weight of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester is 244.12 g/mol.
Where can I buy 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester?
You can request a quote for 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.