1-(3-chloranyl-2-methyl-phenyl)-5-piperidin-4-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-5-piperidin-4-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-2-methyl-phenyl)-5-(4-piperidyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-2-methylphenyl)-5-(4-piperidinyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-2-methyl-phenyl)-5-(4-piperidyl)pyrazole-4-carboxylic acid Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)O)C3CCNCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)O)C3CCNCC3

InChI

InChI=1S/C16H18ClN3O2/c1-10-13(17)3-2-4-14(10)20-15(11-5-7-18-8-6-11)12(9-19-20)16(21)22/h2-4,9,11,18H,5-8H2,1H3,(H,21,22)