Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
TL;DR: Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate (CAS 89193-16-8) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-1-phenylpyrazole-4-carboxylate
Also Known As: Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate, ethyl 5-methyl-1-phenylpyrazole-4-carboxylate, Maybridge1_001715, NCIOpen2_005069, SALOR-INT L317519-1EA
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 89193-16-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C |
| InChIKey | XYIOIOHRWLZCDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate (CAS 89193-16-8), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: ethyl 5-methyl-1-phenylpyrazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
Property Insights of Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate. With a topological polar surface area (TPSA) of 44.1 Ų, Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate 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 Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate?
The CAS number of Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate is 89193-16-8.
What is the molecular formula of Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate?
The molecular formula of Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate is C13H14N2O2.
What is the molecular weight of Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate?
The molecular weight of Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate is 230.11 g/mol.
Where can I buy Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate?
You can request a quote for Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.