Ethyl 1-phenyl-1H-pyrazole-3-carboxylate
TL;DR: Ethyl 1-phenyl-1H-pyrazole-3-carboxylate (CAS 1153165-79-7) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-phenylpyrazole-3-carboxylate
Also Known As: Ethyl 1-phenyl-1H-pyrazole-3-carboxylate, ethyl 1-phenylpyrazole-3-carboxylate, 1-Phenyl-1H-pyrazole-3-carboxylic acid ethyl ester, 1H-Pyrazole-3-carboxylic acid, 1-phenyl-, ethyl ester, ACN-P000651
Technical Specifications
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.08987 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.08987 Da |
| Heavy Atoms | 16 |
| Complexity | 239.0 |
| SMILES | CCOC(=O)C1=NN(C=C1)C2=CC=CC=C2 |
| InChIKey | HNQSUSPWELMLBU-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1-phenyl-1H-pyrazole-3-carboxylate
Property Insights of Ethyl 1-phenyl-1H-pyrazole-3-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-phenyl-1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 44.1 Ų, Ethyl 1-phenyl-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-phenyl-1H-pyrazole-3-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
What is the CAS number of Ethyl 1-phenyl-1H-pyrazole-3-carboxylate?
The CAS number of Ethyl 1-phenyl-1H-pyrazole-3-carboxylate is 1153165-79-7.
What is the molecular formula of Ethyl 1-phenyl-1H-pyrazole-3-carboxylate?
The molecular formula of Ethyl 1-phenyl-1H-pyrazole-3-carboxylate is C12H12N2O2.
What is the molecular weight of Ethyl 1-phenyl-1H-pyrazole-3-carboxylate?
The molecular weight of Ethyl 1-phenyl-1H-pyrazole-3-carboxylate is 216.08987 g/mol.
Where can I buy Ethyl 1-phenyl-1H-pyrazole-3-carboxylate?
You can request a quote for Ethyl 1-phenyl-1H-pyrazole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1-phenyl-1H-pyrazole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1-phenyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.