1-(5-chloranylthiophen-2-yl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-(5-chloro-2-thienyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-(5-chloro-2-thiophenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 1-(5-chloro-2-thienyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C19H24ClN3O3S MolecularWeight: 409.93016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(S3)Cl)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(S3)Cl)C(C)C

InChI

InChI=1S/C19H24ClN3O3S/c1-11(2)23(18(24)13-6-4-12(3)5-7-13)17-14(19(25)26)10-22(21-17)16-9-8-15(20)27-16/h8-13H,4-7H2,1-3H3,(H,25,26)