1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one
TL;DR: 1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one (CAS 54026-78-7) is a chemical compound with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide
Also Known As: 4-Oxo-N,1-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxamide, 1-phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one, 4-oxo-N,1-diphenyl-5H-pyrazole-3-carboxamide, 4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide, 665-764-5
| Molecular Formula | C16H13N3O2 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 2.0704 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.10077 |
| Heavy Atoms | 21 |
| Complexity | 695.97675 |
Chemical Identifiers
| CAS Number | 54026-78-7 |
|---|---|
| SMILES | C1C(=O)C(=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 |
Product Overview
1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one (CAS 54026-78-7), with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol. IUPAC: 4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide.
Chemical Property Profile of 1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one
Property Insights of 1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one
The XLogP value of 2.0704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one. Following Lipinski's Rule of Five, 1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one?
The CAS number of 1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one is 54026-78-7.
What is the molecular formula of 1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one?
The molecular formula of 1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one is C16H13N3O2.
What is the molecular weight of 1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one?
The molecular weight of 1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one is 279.10 g/mol.
Where can I buy 1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one?
You can request a quote for 1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.