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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-thiophen-3-yl-pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-(3-thienyl)pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-1-(3-thiophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-thiophen-3-ylpyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-(3-thienyl)pyrazole-4-carboxylic acid Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CSC=C3)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CSC=C3)C(C)C

InChI

InChI=1S/C19H25N3O3S/c1-12(2)22(18(23)14-6-4-13(3)5-7-14)17-16(19(24)25)10-21(20-17)15-8-9-26-11-15/h8-14H,4-7H2,1-3H3,(H,24,25)