1-(5-bromanyl-2-methyl-phenyl)-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(5-bromanyl-2-methyl-phenyl)-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid Openeye Name: 1-(5-bromo-2-methyl-phenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid CAS Name: 1-(5-bromo-2-methylphenyl)-4-(3-hydroxypropyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(5-bromo-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-methyl-phenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Formula: C14H15BrN2O3 MolecularWeight: 339.1845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)N2C=C(C(=N2)C(=O)O)CCCO

Isomeric SMILES

CC1=C(C=C(C=C1)Br)N2C=C(C(=N2)C(=O)O)CCCO

InChI

InChI=1S/C14H15BrN2O3/c1-9-4-5-11(15)7-12(9)17-8-10(3-2-6-18)13(16-17)14(19)20/h4-5,7-8,18H,2-3,6H2,1H3,(H,19,20)