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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-ethyl-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-ethyl-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-ethyl-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-ethyl-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-ethyl-5-isopropyl-pyrazole-4-carboxylic acid Formula: C15H16ClFN2O2 MolecularWeight: 310.751143

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)O)C(C)C)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCC1=NN(C(=C1C(=O)O)C(C)C)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C15H16ClFN2O2/c1-4-12-13(15(20)21)14(8(2)3)19(18-12)9-5-6-11(17)10(16)7-9/h5-8H,4H2,1-3H3,(H,20,21)