3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
TL;DR: 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester (CAS 34645-25-5) is a chemical compound with molecular formula C14H15N3O4 and molecular weight 289.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-dimethyl-1-(3-nitrophenyl)pyrazole-4-carboxylate
Also Known As: Phosphodiesterase 4 Inhibitor, pde-4 inhibitor, PDE4 Inhibitor, Inhibitor, PDE4, PDE 4 Inhibitor
| Molecular Formula | C14H15N3O4 |
|---|---|
| Molecular Weight | 289.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.10626 |
| Heavy Atoms | 21 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 34645-25-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1C)C2=CC(=CC=C2)[N+](=O)[O-])C |
| InChIKey | MSYGAHOHLUJIKV-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-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester (CAS 34645-25-5), with molecular formula C14H15N3O4 and molecular weight 289.11 g/mol. IUPAC: ethyl 3,5-dimethyl-1-(3-nitrophenyl)pyrazole-4-carboxylate.
Chemical Property Profile of 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
Property Insights of 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester has 0 hydrogen bond donor(s) and 5 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-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester?
The CAS number of 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester is 34645-25-5.
What is the molecular formula of 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester?
The molecular formula of 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester is C14H15N3O4.
What is the molecular weight of 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester?
The molecular weight of 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester is 289.11 g/mol.
Where can I buy 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester?
You can request a quote for 3,5-Dimethyl-1-(3-nitrophenyl)-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-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.