N-(3-ethynylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide Openeye Name: N-(3-ethynylphenyl)-5-isopropyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxamide CAS Name: N-(3-ethynylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxamide IUPAC Name: N-(3-ethynylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide Traditional Name: N-(3-ethynylphenyl)-5-isopropyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxamide Formula: C21H17F3N4O MolecularWeight: 398.38109

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC(C)C1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C21H17F3N4O/c1-4-14-6-5-7-16(10-14)27-20(29)17-12-26-28(19(17)13(2)3)18-9-8-15(11-25-18)21(22,23)24/h1,5-13H,2-3H3,(H,27,29)