4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 130778-21-1) is a chemical compound with molecular formula C11H11BrN2O2 and molecular weight 282.0004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
Also Known As: 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 4-bromo-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-one, 4-Bromo-4-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-ol, 5-benzyl-4-chloro-4-phenyl-2,4-dihydro-pyrazol-3-one, 3H-Pyrazol-3-one,4-bromo-2,4-dihydro-4-(4-methoxyphenyl)-5-methyl-
Technical Specifications
| Molecular Formula | C11H11BrN2O2 |
| Molecular Weight | 282.0004 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.0004 Da |
| Heavy Atoms | 16 |
| Complexity | 324.0 |
| SMILES | CC1=NNC(=O)C1(C2=CC=C(C=C2)OC)Br |
| InChIKey | RIRWDRQBCOEXEC-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 50.7 Ų, 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 130778-21-1.
What is the molecular formula of 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is C11H11BrN2O2.
What is the molecular weight of 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 282.0004 g/mol.
Where can I buy 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-Bromo-4-(4-methoxyphenyl)-5-methyl-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 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-4-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.