5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile
TL;DR: 5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile (CAS 139347-80-1) is a chemical compound with molecular formula C12H11N3O and molecular weight 213.09021 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile
Also Known As: 4-Cyano-5-methoxy-1-methyl-3-phenylpyrazole, 5-methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile, 5-methoxy-1-methyl-3-phenylpyrazole-4-carbonitrile, 5-methoxy-1-methyl-3-phenyl-pyrazole-4-carbonitrile
Technical Specifications
| Molecular Formula | C12H11N3O |
| Molecular Weight | 213.09021 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.09021 Da |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
| SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)C#N)OC |
| InChIKey | AUKBXEXXRXJYMW-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile
Property Insights of 5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile. With a topological polar surface area (TPSA) of 50.8 Ų, 5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile 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 5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile?
The CAS number of 5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile is 139347-80-1.
What is the molecular formula of 5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile?
The molecular formula of 5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile is C12H11N3O.
What is the molecular weight of 5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile?
The molecular weight of 5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile is 213.09021 g/mol.
Where can I buy 5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile?
You can request a quote for 5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-Methoxy-1-methyl-3-phenyl-1h-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.