5-chloranyl-1-(phenylmethyl)-3-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-(phenylmethyl)-3-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-5-chloro-3-isopropyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(phenylmethyl)-3-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-5-chloro-3-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-benzyl-5-chloro-3-isopropyl-pyrazole-4-carboxylic acid Formula: C14H15ClN2O2 MolecularWeight: 278.7341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1C(=O)O)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=NN(C(=C1C(=O)O)Cl)CC2=CC=CC=C2

InChI

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