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

Systemtic Name: 5-chloranyl-1-(2-methylpropyl)-3-propyl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-isobutyl-3-propyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(2-methylpropyl)-3-propyl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(2-methylpropyl)-3-propylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-isobutyl-3-propyl-pyrazole-4-carboxylic acid Formula: C11H17ClN2O2 MolecularWeight: 244.71788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)O)Cl)CC(C)C

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)O)Cl)CC(C)C

InChI

InChI=1S/C11H17ClN2O2/c1-4-5-8-9(11(15)16)10(12)14(13-8)6-7(2)3/h7H,4-6H2,1-3H3,(H,15,16)