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

Systemtic Name: 1-(2-methoxy-5-methyl-phenyl)-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid Openeye Name: 4-(3-hydroxypropyl)-1-(2-methoxy-5-methyl-phenyl)pyrazole-3-carboxylic acid CAS Name: 4-(3-hydroxypropyl)-1-(2-methoxy-5-methylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-(3-hydroxypropyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxylic acid Traditional Name: 4-(3-hydroxypropyl)-1-(2-methoxy-5-methyl-phenyl)pyrazole-3-carboxylic acid Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C=C(C(=N2)C(=O)O)CCCO

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C=C(C(=N2)C(=O)O)CCCO

InChI

InChI=1S/C15H18N2O4/c1-10-5-6-13(21-2)12(8-10)17-9-11(4-3-7-18)14(16-17)15(19)20/h5-6,8-9,18H,3-4,7H2,1-2H3,(H,19,20)