5-chloranyl-3-ethyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-3-ethyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 5-chloro-3-ethyl-1-isobutyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-3-ethyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 5-chloro-3-ethyl-1-isobutyl-pyrazole-4-carboxylic acid Formula: C10H15ClN2O2 MolecularWeight: 230.6913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)O)Cl)CC(C)C

Isomeric SMILES

CCC1=NN(C(=C1C(=O)O)Cl)CC(C)C

InChI

InChI=1S/C10H15ClN2O2/c1-4-7-8(10(14)15)9(11)13(12-7)5-6(2)3/h6H,4-5H2,1-3H3,(H,14,15)