methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate
TL;DR: methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate (CAS 103653-61-8) is a chemical compound with molecular formula C16H19N3O6 and molecular weight 349.12738 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate
Also Known As: AB00092195-01, methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate, methyl 5-tert-butyl-5-hydroxy-1-[(4-nitrophenyl)carbonyl]-4,5-dihydro-1H-pyrazole-3-carboxylate, methyl 5-(tert-butyl)-5-hydroxy-1-(4-nitrobenzoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate, methyl 5-(tert-butyl)-5-hydroxy-1-[(4-nitrophenyl)carbonyl]-2-pyrazoline-3-car boxylate
Technical Specifications
| Molecular Formula | C16H19N3O6 |
| Molecular Weight | 349.12738 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.12738 Da |
| Heavy Atoms | 25 |
| Complexity | 598.0 |
| SMILES | CC(C)(C)C1(CC(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)O |
| InChIKey | GMQKJJCAYGQILY-UHFFFAOYSA-N |
Chemical Property Profile of methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate
Property Insights of methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate?
The CAS number of methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate is 103653-61-8.
What is the molecular formula of methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate?
The molecular formula of methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate is C16H19N3O6.
What is the molecular weight of methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate?
The molecular weight of methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate is 349.12738 g/mol.
Where can I buy methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate?
You can request a quote for methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.