5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 54241-45-1) is a chemical compound with molecular formula C11H12ClN3O and molecular weight 237.0669 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-2-(2-chloro-4,6-dimethylphenyl)-4H-pyrazol-3-one
Also Known As: 5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one, 5-amino-2- -2,4-dihydro-3H-pyrazol-3-one, 3H-Pyrazol-3-one, 5-amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-, 3-Amino-1-(2-chloro-4,6-dimethylphenyl)-1H-pyrazol-5(4H)-one, 2-(2-Chloro-4,6-dimethylphenyl)-5-iminopyrazolidin-3-one
Technical Specifications
| Molecular Formula | C11H12ClN3O |
| Molecular Weight | 237.0669 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.0669 Da |
| Heavy Atoms | 16 |
| Complexity | 331.0 |
| SMILES | CC1=CC(=C(C(=C1)Cl)N2C(=O)CC(=N2)N)C |
| InChIKey | CIBYYNKTGAUUAG-UHFFFAOYSA-N |
Chemical Property Profile of 5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 58.7 Ų, 5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 2 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-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one is 54241-45-1.
What is the molecular formula of 5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one is C11H12ClN3O.
What is the molecular weight of 5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one is 237.0669 g/mol.
Where can I buy 5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 5-Amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.