ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate
TL;DR: ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate (CAS 121716-27-6) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-amino-3-methyl-1-phenylpyrazole-4-carboxylate
Also Known As: ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate, BAS 00402464, ethyl 5-amino-3-methyl-1-phenylpyrazole-4-carboxylate, J3.287.059G, 5-Amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C13H15N3O2 |
| Molecular Weight | 245.11642 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.11642 Da |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
| SMILES | CCOC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)N |
| InChIKey | UHGWASXMFNXBBA-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate
Property Insights of ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-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
What is the CAS number of ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate is 121716-27-6.
What is the molecular formula of ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate is C13H15N3O2.
What is the molecular weight of ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate is 245.11642 g/mol.
Where can I buy ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.