5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one
TL;DR: 5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one (CAS 144723-39-7) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one
Also Known As: 5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one, 1-isonicotinoyl-3-propyl-1H-pyrazol-5(4H)-one
Technical Specifications
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.10077 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.10077 Da |
| Heavy Atoms | 17 |
| Complexity | 346.0 |
| SMILES | CCCC1=NN(C(=O)C1)C(=O)C2=CC=NC=C2 |
| InChIKey | SPAWFWDEGKOLPJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one
Property Insights of 5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one. Following Lipinski's Rule of Five, 5-propyl-2-(pyridine-4-carbonyl)-4H-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 5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one?
The CAS number of 5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one is 144723-39-7.
What is the molecular formula of 5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one?
The molecular formula of 5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one is C12H13N3O2.
What is the molecular weight of 5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one?
The molecular weight of 5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one is 231.10077 g/mol.
Where can I buy 5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one?
You can request a quote for 5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 5-propyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.