1-(3-chlorophenyl)-3,5-dipropyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chlorophenyl)-3,5-dipropyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-3,5-dipropyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3,5-dipropyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3,5-dipropylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-3,5-dipropyl-pyrazole-4-carboxylic acid Formula: C16H19ClN2O2 MolecularWeight: 306.78726

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC(=CC=C2)Cl)CCC)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC(=CC=C2)Cl)CCC)C(=O)O

InChI

InChI=1S/C16H19ClN2O2/c1-3-6-13-15(16(20)21)14(7-4-2)19(18-13)12-9-5-8-11(17)10-12/h5,8-10H,3-4,6-7H2,1-2H3,(H,20,21)