3-(1-butan-2-yl-3,5-dimethyl-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(1-butan-2-yl-3,5-dimethyl-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(3,5-dimethyl-1-sec-butyl-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(1-butan-2-yl-3,5-dimethyl-4-pyrazolyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(1-butan-2-yl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(3,5-dimethyl-1-sec-butyl-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid Formula: C13H18N4O2 MolecularWeight: 262.30762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C(C(=N1)C)C2=NNC(=C2)C(=O)O)C

Isomeric SMILES

CCC(C)N1C(=C(C(=N1)C)C2=NNC(=C2)C(=O)O)C

InChI

InChI=1S/C13H18N4O2/c1-5-7(2)17-9(4)12(8(3)16-17)10-6-11(13(18)19)15-14-10/h6-7H,5H2,1-4H3,(H,14,15)(H,18,19)