4-(1-adamantyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole

Systemtic Name: 4-(1-adamantyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole Openeye Name: 4-(1-adamantyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole CAS Name: 4-(1-adamantyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole IUPAC Name: 4-(1-adamantyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole Traditional Name: 4-(1-adamantyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole Formula: C20H21F3N2 MolecularWeight: 346.38935

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(NN=C4C5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(NN=C4C5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C20H21F3N2/c21-20(22,23)18-16(17(24-25-18)15-4-2-1-3-5-15)19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14H,6-11H2,(H,24,25)