1-methyl-5-[[5-methyl-1-(phenylmethyl)pyrazol-3-yl]carbamoyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[[5-methyl-1-(phenylmethyl)pyrazol-3-yl]carbamoyl]pyrazole-4-carboxylic acid Openeye Name: 5-[(1-benzyl-5-methyl-pyrazol-3-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[[[5-methyl-1-(phenylmethyl)-3-pyrazolyl]amino]-oxomethyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(1-benzyl-5-methyl-pyrazol-3-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC=C2)NC(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC=C2)NC(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C17H17N5O3/c1-11-8-14(20-22(11)10-12-6-4-3-5-7-12)19-16(23)15-13(17(24)25)9-18-21(15)2/h3-9H,10H2,1-2H3,(H,24,25)(H,19,20,23)