1-(2,5-dimethylphenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(2,5-dimethylphenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid Openeye Name: 1-(2,5-dimethylphenyl)-5-(2-furyl)pyrazole-3-carboxylic acid CAS Name: 1-(2,5-dimethylphenyl)-5-(2-furanyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(2,5-dimethylphenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid Traditional Name: 1-(2,5-dimethylphenyl)-5-(2-furyl)pyrazole-3-carboxylic acid Formula: C16H14N2O3 MolecularWeight: 282.29396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C(=O)O)C3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C(=O)O)C3=CC=CO3

InChI

InChI=1S/C16H14N2O3/c1-10-5-6-11(2)13(8-10)18-14(15-4-3-7-21-15)9-12(17-18)16(19)20/h3-9H,1-2H3,(H,19,20)