5-(cyclopentylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-(cyclopentylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-(cyclopentylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 5-(cyclopentylamino)-1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C16H17F3N4O4S MolecularWeight: 418.39079

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C(=O)O)NC3CCCC3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C(=O)O)NC3CCCC3

InChI

InChI=1S/C16H17F3N4O4S/c1-28(26,27)10-6-7-11(20-8-10)23-14(21-9-4-2-3-5-9)12(15(24)25)13(22-23)16(17,18)19/h6-9,21H,2-5H2,1H3,(H,24,25)