1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester
TL;DR: 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester (CAS 131073-53-5) is a chemical compound with molecular formula C18H13N5O3 and molecular weight 347.10184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-(4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylate
Also Known As: 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester, Methyl 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-1H-pyrazole-4-carboxylate, methyl 5-(4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylate, methyl 5-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)-1-phenyl-1H-pyrazole-4-carboxylate, 1-Phenyl-5-[(3,4-dihydro-4-oxo-1,2,3-benzotriazin)-3-yl]-1H-pyrazole-4-carboxylic acid methyl ester
Technical Specifications
| Molecular Formula | C18H13N5O3 |
| Molecular Weight | 347.10184 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.10184 Da |
| Heavy Atoms | 26 |
| Complexity | 577.0 |
| SMILES | COC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=N3 |
| InChIKey | KPVWZFVIVQNTCP-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester
Property Insights of 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester
The XLogP value of 3.3 indicates that 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester. Following Lipinski's Rule of Five, 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester has 0 hydrogen bond donor(s) and 6 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, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester?
The CAS number of 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester is 131073-53-5.
What is the molecular formula of 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester?
The molecular formula of 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester is C18H13N5O3.
What is the molecular weight of 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester?
The molecular weight of 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester is 347.10184 g/mol.
Where can I buy 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester?
You can request a quote for 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-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, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1-phenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.