2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one
TL;DR: 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one (CAS 118048-86-5) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.09569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-nitrophenyl)-5-propyl-4H-pyrazol-3-one
Also Known As: 2-(4-nitrophenyl)-5-propyl-4H-pyrazol-3-one, 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one, 1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5(4H)-one
Technical Specifications
| Molecular Formula | C12H13N3O3 |
| Molecular Weight | 247.09569 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.09569 Da |
| Heavy Atoms | 18 |
| Complexity | 367.0 |
| SMILES | CCCC1=NN(C(=O)C1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | WEGPFWIABHFPOM-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one
Property Insights of 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one. Following Lipinski's Rule of Five, 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one 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 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one?
The CAS number of 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one is 118048-86-5.
What is the molecular formula of 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one?
The molecular formula of 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one is C12H13N3O3.
What is the molecular weight of 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one?
The molecular weight of 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one is 247.09569 g/mol.
Where can I buy 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one?
You can request a quote for 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 2,4-dihydro-2-(4-nitrophenyl)-5-propyl-3H-Pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.