1-(3-chloranyl-4-fluoranyl-phenyl)-5-propan-2-yl-3-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-propan-2-yl-3-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-isopropyl-3-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-5-propan-2-yl-3-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-propan-2-yl-3-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-isopropyl-3-propyl-pyrazole-4-carboxylic acid Formula: C16H18ClFN2O2 MolecularWeight: 324.777723

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)O)C(C)C)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)O)C(C)C)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H18ClFN2O2/c1-4-5-13-14(16(21)22)15(9(2)3)20(19-13)10-6-7-12(18)11(17)8-10/h6-9H,4-5H2,1-3H3,(H,21,22)