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477712-87-1

477712-87-1 structural image
Product Name: ETHYL 1-(5-([(ETHYLAMINO)CARBONYL]AMINO)-2-PYRIDINYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLATE
Formula: C16H21N5O3
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 29.4 [ug/mL] (The mean of the results at pH 7.4)

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