879433-31-5
Product Name:
5-AMINO-1-(4-METHYL-BENZYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Formula:
C14H17N3O2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 24.2 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 259.30 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 259.132076794 g/mol |
| Monoisotopic Mass | 259.132076794 g/mol |
| Topological Polar Surface Area | 70.1 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 303 |
| 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 |