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

Systemtic Name: 5-chloranyl-1-(phenylmethyl)-3-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-5-chloro-3-propyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(phenylmethyl)-3-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-5-chloro-3-propylpyrazole-4-carboxylic acid Traditional Name: 1-benzyl-5-chloro-3-propyl-pyrazole-4-carboxylic acid Formula: C14H15ClN2O2 MolecularWeight: 278.7341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN2O2/c1-2-6-11-12(14(18)19)13(15)17(16-11)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,18,19)