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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-(5-methyl-2-thienyl)pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-1-(5-methyl-2-thiophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-(5-methyl-2-thienyl)pyrazole-4-carboxylic acid Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-12(2)23(19(24)15-8-5-13(3)6-9-15)18-16(20(25)26)11-22(21-18)17-10-7-14(4)27-17/h7,10-13,15H,5-6,8-9H2,1-4H3,(H,25,26)