3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[3,5-dimethyl-1-(2-methylallyl)pyrazol-4-yl]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[3,5-dimethyl-1-(2-methylprop-2-enyl)-4-pyrazolyl]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[3,5-dimethyl-1-(2-methylallyl)pyrazol-4-yl]-1H-pyrazole-5-carboxylic acid Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=C)C)C)C2=NNC(=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC(=C)C)C)C2=NNC(=C2)C(=O)O

InChI

InChI=1S/C13H16N4O2/c1-7(2)6-17-9(4)12(8(3)16-17)10-5-11(13(18)19)15-14-10/h5H,1,6H2,2-4H3,(H,14,15)(H,18,19)