Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-
TL;DR: Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl- (CAS 113411-43-1) is a chemical compound with molecular formula C9H11N3O and molecular weight 177.09021 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole
Also Known As: Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-, 3-(1,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole, 3-(1,5-Dimethyl-1H-pyrazol-3-yl)-5-methylisoxazole, 3-(1,5-dimethylpyrazol-3-yl)-5-methyl-isoxazole, 3-(1,5-Dimethyl-1H-pyrazol-3-yl)-5-methyl-isoxazole
Technical Specifications
| Molecular Formula | C9H11N3O |
| Molecular Weight | 177.09021 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.09021 Da |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
| SMILES | CC1=CC(=NN1C)C2=NOC(=C2)C |
| InChIKey | IDMVPLIFTRQSPG-UHFFFAOYSA-N |
Chemical Property Profile of Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-
Property Insights of Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-. With a topological polar surface area (TPSA) of 43.9 Ų, Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl- has 0 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 Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-?
The CAS number of Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl- is 113411-43-1.
What is the molecular formula of Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-?
The molecular formula of Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl- is C9H11N3O.
What is the molecular weight of Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-?
The molecular weight of Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl- is 177.09021 g/mol.
Where can I buy Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-?
You can request a quote for Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-?
Yes, CoreyChem provides custom synthesis services for Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.