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MLS000417500,ZINC03419915,SMR000264523,T5337573, N-(2,5-dimethylphenyl

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摘 要:MLS000417500,ZINC03419915,SMR000264523,T5337573, N-(2,5-dimethylphenyl)-2,5-di(phenyl)pyrazole-3-carboxamide,Canonical SMILES: CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4,InChI: InChI=1/C24H21N3O/c1-17-13-14-18(2)21(15-17)25-24(28)23-16-
[Synonyms]
MLS000417500
ZINC03419915
SMR000264523
T5337573

[Structure]
MLS000417500,ZINC03419915,SMR000264523,T5337573, N-(2,5-dimethylphenyl

[ Properties Computed from Structure]
Molecular Weight367.44304 [g/mol]
Molecular FormulaC24H21N3O
XLogP5.7
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count2
Exact Mass367.168462
MonoIsotopic Mass367.168462
Topological Polar Surface Area46.9
Heavy Atom Count28
Formal Charge0
Complexity512
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: N-(2,5-dimethylphenyl)-2,5-di(phenyl)pyrazole-3-carboxamide
Canonical SMILES: CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1/C24H21N3O/c1-17-13-14-18(2)21(15-17)25-24(28)23-16-22(19-9-5-3-
6-10-19)26-27(23)20-11-7-4-8-12-20/h3-16H,1-2H3,(H,25,28)/f/h25H

 
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