3-[1-[(2S)-butan-2-yl]-3,5-dimethyl-pyrazol-4-yl]-1H-pyrazole-5-carboxylate

Systemtic Name: 3-[1-[(2S)-butan-2-yl]-3,5-dimethyl-pyrazol-4-yl]-1H-pyrazole-5-carboxylate Openeye Name: 3-[3,5-dimethyl-1-[(1S)-1-methylpropyl]pyrazol-4-yl]-1H-pyrazole-5-carboxylate CAS Name: 3-[1-[(2S)-butan-2-yl]-3,5-dimethyl-4-pyrazolyl]-1H-pyrazole-5-carboxylate IUPAC Name: 3-[1-[(2S)-butan-2-yl]-3,5-dimethylpyrazol-4-yl]-1H-pyrazole-5-carboxylate Traditional Name: 3-[3,5-dimethyl-1-[(1S)-1-methylpropyl]pyrazol-4-yl]-1H-pyrazole-5-carboxylate Formula: C13H17N4O2- MolecularWeight: 261.29968

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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

CC[C@H](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)/p-1/t7-/m0/s1