5-chloranyl-1-[(4-methylphenyl)methyl]-3-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-[(4-methylphenyl)methyl]-3-propyl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-3-propyl-1-(p-tolylmethyl)pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-[(4-methylphenyl)methyl]-3-propyl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-[(4-methylphenyl)methyl]-3-propylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(4-methylbenzyl)-3-propyl-pyrazole-4-carboxylic acid Formula: C15H17ClN2O2 MolecularWeight: 292.76068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)O)Cl)CC2=CC=C(C=C2)C

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)O)Cl)CC2=CC=C(C=C2)C

InChI

InChI=1S/C15H17ClN2O2/c1-3-4-12-13(15(19)20)14(16)18(17-12)9-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,19,20)