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ZINC00324203 2-(2-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazole-3-carbo

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摘 要:ZINC00324203 2-(2-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazole-3-carboxamide,Canonical SMILES: CC(C)NC(=O)C1=CC(=NN1C2=CC=CC=C2Cl)C3=CC=CC=C3,InChI: InChI=1/C19H18ClN3O/c1-13(2)21-19(24)18-12-16(14-8-4-3-5-9-14)22-23(18),17-11-7-6-10-15(17)20/h3-13H,
[Synonyms]
ZINC00324203
[Structure]
ZINC00324203 2-(2-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazole-3-carbo

[ Properties Computed from Structure]
Molecular Weight339.81872 [g/mol]
Molecular FormulaC19H18ClN3O
XLogP4.9
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count2
Exact Mass339.11384
MonoIsotopic Mass339.11384
Topological Polar Surface Area46.9
Heavy Atom Count24
Formal Charge0
Complexity425
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-(2-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazole-3-carboxamide
Canonical SMILES: CC(C)NC(=O)C1=CC(=NN1C2=CC=CC=C2Cl)C3=CC=CC=C3
InChI: InChI=1/C19H18ClN3O/c1-13(2)21-19(24)18-12-16(14-8-4-3-5-9-14)22-23(18)
17-11-7-6-10-15(17)20/h3-13H,1-2H3,(H,21,24)/f/h21H

 
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