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

Systemtic Name: 5-chloranyl-1-(2-cyanoethyl)-3-propyl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(2-cyanoethyl)-3-propyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(2-cyanoethyl)-3-propyl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(2-cyanoethyl)-3-propylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(2-cyanoethyl)-3-propyl-pyrazole-4-carboxylic acid Formula: C10H12ClN3O2 MolecularWeight: 241.67418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)O)Cl)CCC#N

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)O)Cl)CCC#N

InChI

InChI=1S/C10H12ClN3O2/c1-2-4-7-8(10(15)16)9(11)14(13-7)6-3-5-12/h2-4,6H2,1H3,(H,15,16)