1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester
TL;DR: 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester (CAS 123362-39-0) is a chemical compound with molecular formula C18H14N2O3 and molecular weight 306.10043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-benzoyl-1-phenylpyrazole-4-carboxylate
Also Known As: methyl 3-benzoyl-1-phenylpyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester, methyl 3-benzoyl-1-phenyl-1H-pyrazole-4-carboxylate
Technical Specifications
| Molecular Formula | C18H14N2O3 |
| Molecular Weight | 306.10043 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.10043 Da |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
| SMILES | COC(=O)C1=CN(N=C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | XACHCEJJKHFJJL-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester
Property Insights of 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester
The XLogP value of 3.4 indicates that 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester. Following Lipinski's Rule of Five, 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester has 0 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 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester?
The CAS number of 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester is 123362-39-0.
What is the molecular formula of 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester?
The molecular formula of 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester is C18H14N2O3.
What is the molecular weight of 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester?
The molecular weight of 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester is 306.10043 g/mol.
Where can I buy 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester?
You can request a quote for 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.