1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester
TL;DR: 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester (CAS 124330-05-8) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate
Also Known As: 1-Ethoxycarbonyl-5-phenyl-2-pyrazoline, Ethyl 4,5-dihydro-5-phenyl-1H-pyrazole-1-carboxylate, ethyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate, 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester, Ethyl 5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxylate
Technical Specifications
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.10553 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.10553 Da |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
| SMILES | CCOC(=O)N1C(CC=N1)C2=CC=CC=C2 |
| InChIKey | PJLJTYCTXHSVAA-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester
Property Insights of 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester. With a topological polar surface area (TPSA) of 41.9 Ų, 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, 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
What is the CAS number of 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester?
The CAS number of 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester is 124330-05-8.
What is the molecular formula of 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester?
The molecular formula of 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester is C12H14N2O2.
What is the molecular weight of 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester?
The molecular weight of 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester is 218.10553 g/mol.
Where can I buy 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester?
You can request a quote for 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.