1-(2,4-dichlorophenyl)-4-methyl-5-[4-(5-oxidanylpentyl)phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-(2,4-dichlorophenyl)-4-methyl-5-[4-(5-oxidanylpentyl)phenyl]pyrazole-3-carboxylic acid Openeye Name: 1-(2,4-dichlorophenyl)-5-[4-(5-hydroxypentyl)phenyl]-4-methyl-pyrazole-3-carboxylic acid CAS Name: 1-(2,4-dichlorophenyl)-5-[4-(5-hydroxypentyl)phenyl]-4-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-(2,4-dichlorophenyl)-5-[4-(5-hydroxypentyl)phenyl]-4-methylpyrazole-3-carboxylic acid Traditional Name: 1-(2,4-dichlorophenyl)-5-[4-(5-hydroxypentyl)phenyl]-4-methyl-pyrazole-3-carboxylic acid Formula: C22H22Cl2N2O3 MolecularWeight: 433.32768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)CCCCCO

Isomeric SMILES

CC1=C(N(N=C1C(=O)O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)CCCCCO

InChI

InChI=1S/C22H22Cl2N2O3/c1-14-20(22(28)29)25-26(19-11-10-17(23)13-18(19)24)21(14)16-8-6-15(7-9-16)5-3-2-4-12-27/h6-11,13,27H,2-5,12H2,1H3,(H,28,29)