2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 111988-05-7) is a chemical compound with molecular formula C7H10N4O and molecular weight 166.08546 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-4H-pyrazol-3-one
Also Known As: 2B-057, 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-4H-pyrazol-3-one, 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 1-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
Technical Specifications
| Molecular Formula | C7H10N4O |
| Molecular Weight | 166.08546 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 57.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.08546 Da |
| Heavy Atoms | 12 |
| Complexity | 281.0 |
| SMILES | CC1=NN(C(=O)C1)C2=NCCN2 |
| InChIKey | XYLFNCDHELCUFK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of -1.0 indicates that 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.1 Ų, 2-(4,5-dihydro-1H-imidazol-2-yl)-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, 2-(4,5-dihydro-1H-imidazol-2-yl)-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 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 111988-05-7.
What is the molecular formula of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is C7H10N4O.
What is the molecular weight of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 166.08546 g/mol.
Where can I buy 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-(4,5-dihydro-1H-imidazol-2-yl)-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 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.