5-tert-butyl-1-(6-methylpyridazin-3-yl)pyrazole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(6-methylpyridazin-3-yl)pyrazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(6-methylpyridazin-3-yl)pyrazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(6-methyl-3-pyridazinyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-(6-methylpyridazin-3-yl)pyrazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(6-methylpyridazin-3-yl)pyrazole-3-carboxylic acid Formula: C13H16N4O2 MolecularWeight: 260.29174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C=C1)N2C(=CC(=N2)C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=NN=C(C=C1)N2C(=CC(=N2)C(=O)O)C(C)(C)C

InChI

InChI=1S/C13H16N4O2/c1-8-5-6-11(15-14-8)17-10(13(2,3)4)7-9(16-17)12(18)19/h5-7H,1-4H3,(H,18,19)