1-(2,4-dichlorophenyl)-4-methyl-5-(2-pentylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(2,4-dichlorophenyl)-4-methyl-5-(2-pentylphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(2,4-dichlorophenyl)-4-methyl-5-(2-pentylphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(2,4-dichlorophenyl)-4-methyl-5-(2-pentylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(2,4-dichlorophenyl)-4-methyl-5-(2-pentylphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(2-amylphenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylic acid Formula: C22H22Cl2N2O2 MolecularWeight: 417.32828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC=C1C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)O)C

Isomeric SMILES

CCCCCC1=CC=CC=C1C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)O)C

InChI

InChI=1S/C22H22Cl2N2O2/c1-3-4-5-8-15-9-6-7-10-17(15)21-14(2)20(22(27)28)25-26(21)19-12-11-16(23)13-18(19)24/h6-7,9-13H,3-5,8H2,1-2H3,(H,27,28)