2-[6-(diethylamino)pyridazin-3-yl]-5-(2-methylpropyl)pyrazole-3-carboxylic acid

Systemtic Name: 2-[6-(diethylamino)pyridazin-3-yl]-5-(2-methylpropyl)pyrazole-3-carboxylic acid Openeye Name: 2-[6-(diethylamino)pyridazin-3-yl]-5-isobutyl-pyrazole-3-carboxylic acid CAS Name: 2-[6-(diethylamino)-3-pyridazinyl]-5-(2-methylpropyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-[6-(diethylamino)pyridazin-3-yl]-5-(2-methylpropyl)pyrazole-3-carboxylic acid Traditional Name: 2-[6-(diethylamino)pyridazin-3-yl]-5-isobutyl-pyrazole-3-carboxylic acid Formula: C16H23N5O2 MolecularWeight: 317.38612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O2/c1-5-20(6-2)14-7-8-15(18-17-14)21-13(16(22)23)10-12(19-21)9-11(3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,22,23)