956264-61-2
Product Name:
1H-Pyrazole-4-carboxylic acid, 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1-phenyl-, ethyl ester
Formula:
C18H19N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 309.4 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 309.147726857 g/mol |
| Monoisotopic Mass | 309.147726857 g/mol |
| Topological Polar Surface Area | 49 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 401 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |