3-[5-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[1-ethyl-3-(isopropylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[[1-ethyl-3-[oxo-(propan-2-ylamino)methyl]-4-pyrazolyl]amino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[[1-ethyl-3-(isopropylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C16H22N6O4 MolecularWeight: 362.38368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC(C)C)NC(=O)C2=CC=NN2CCC(=O)O

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC(C)C)NC(=O)C2=CC=NN2CCC(=O)O

InChI

InChI=1S/C16H22N6O4/c1-4-21-9-11(14(20-21)16(26)18-10(2)3)19-15(25)12-5-7-17-22(12)8-6-13(23)24/h5,7,9-10H,4,6,8H2,1-3H3,(H,18,26)(H,19,25)(H,23,24)