1-(4-iodophenyl)-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-iodophenyl)-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid Openeye Name: 4-(3-hydroxypropyl)-1-(4-iodophenyl)pyrazole-3-carboxylic acid CAS Name: 4-(3-hydroxypropyl)-1-(4-iodophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-(3-hydroxypropyl)-1-(4-iodophenyl)pyrazole-3-carboxylic acid Traditional Name: 4-(3-hydroxypropyl)-1-(4-iodophenyl)pyrazole-3-carboxylic acid Formula: C13H13IN2O3 MolecularWeight: 372.15839

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=C(C(=N2)C(=O)O)CCCO)I

Isomeric SMILES

C1=CC(=CC=C1N2C=C(C(=N2)C(=O)O)CCCO)I

InChI

InChI=1S/C13H13IN2O3/c14-10-3-5-11(6-4-10)16-8-9(2-1-7-17)12(15-16)13(18)19/h3-6,8,17H,1-2,7H2,(H,18,19)