5-(2-methylpropyl)-2-(6-morpholin-4-ylpyridazin-3-yl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(2-methylpropyl)-2-(6-morpholin-4-ylpyridazin-3-yl)pyrazole-3-carboxylic acid Openeye Name: 5-isobutyl-2-(6-morpholinopyridazin-3-yl)pyrazole-3-carboxylic acid CAS Name: 5-(2-methylpropyl)-2-[6-(4-morpholinyl)-3-pyridazinyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-(2-methylpropyl)-2-(6-morpholin-4-ylpyridazin-3-yl)pyrazole-3-carboxylic acid Traditional Name: 5-isobutyl-2-(6-morpholinopyridazin-3-yl)pyrazole-3-carboxylic acid Formula: C16H21N5O3 MolecularWeight: 331.36964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=C1)C(=O)O)C2=NN=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(C)CC1=NN(C(=C1)C(=O)O)C2=NN=C(C=C2)N3CCOCC3

InChI

InChI=1S/C16H21N5O3/c1-11(2)9-12-10-13(16(22)23)21(19-12)15-4-3-14(17-18-15)20-5-7-24-8-6-20/h3-4,10-11H,5-9H2,1-2H3,(H,22,23)