3-[3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]amino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)carbamoyl]pyrazol-1-yl]propionic acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=NN(C=C3)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=NN(C=C3)CCC(=O)O

InChI

InChI=1S/C19H21N5O3/c1-13-18(14(2)24(21-13)12-15-6-4-3-5-7-15)20-19(27)16-8-10-23(22-16)11-9-17(25)26/h3-8,10H,9,11-12H2,1-2H3,(H,20,27)(H,25,26)