1-(5-chloranylpentyl)-4-methyl-5-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-(5-chloranylpentyl)-4-methyl-5-phenyl-pyrazole-3-carboxylic acid Openeye Name: 1-(5-chloropentyl)-4-methyl-5-phenyl-pyrazole-3-carboxylic acid CAS Name: 1-(5-chloropentyl)-4-methyl-5-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 1-(5-chloropentyl)-4-methyl-5-phenylpyrazole-3-carboxylic acid Traditional Name: 1-(5-chloropentyl)-4-methyl-5-phenyl-pyrazole-3-carboxylic acid Formula: C16H19ClN2O2 MolecularWeight: 306.78726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)O)CCCCCCl)C2=CC=CC=C2

Isomeric SMILES

CC1=C(N(N=C1C(=O)O)CCCCCCl)C2=CC=CC=C2

InChI

InChI=1S/C16H19ClN2O2/c1-12-14(16(20)21)18-19(11-7-3-6-10-17)15(12)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,20,21)