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

Systemtic Name: 5-chloranyl-1-(2-methylpropyl)-3-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-isobutyl-3-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(2-methylpropyl)-3-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(2-methylpropyl)-3-phenylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-isobutyl-3-phenyl-pyrazole-4-carboxylic acid Formula: C14H15ClN2O2 MolecularWeight: 278.7341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=N1)C2=CC=CC=C2)C(=O)O)Cl

Isomeric SMILES

CC(C)CN1C(=C(C(=N1)C2=CC=CC=C2)C(=O)O)Cl

InChI

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