477712-87-1
Product Name:
ETHYL 1-(5-([(ETHYLAMINO)CARBONYL]AMINO)-2-PYRIDINYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLATE
Formula:
C16H21N5O3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 29.4 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 331.37 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 331.16443955 g/mol |
| Monoisotopic Mass | 331.16443955 g/mol |
| Topological Polar Surface Area | 98.1 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 447 |
| 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 |