6-[4-[[(1S)-1-cyclopropylethyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[4-[[(1S)-1-cyclopropylethyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[4-[[(1S)-1-cyclopropylethyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[4-[[[(1S)-1-cyclopropylethyl]amino]-oxomethyl]-5-(trifluoromethyl)-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[4-[[(1S)-1-cyclopropylethyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[4-[[(1S)-1-cyclopropylethyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Formula: C14H13F3N5O2- MolecularWeight: 340.28053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)[O-])C(F)(F)F

Isomeric SMILES

C[C@@H](C1CC1)NC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)[O-])C(F)(F)F

InChI

InChI=1S/C14H14F3N5O2/c1-7(8-2-3-8)19-13(24)9-6-18-22(12(9)14(15,16)17)10-4-5-11(23)21-20-10/h4-8H,2-3H2,1H3,(H,19,24)(H,21,23)/p-1/t7-/m0/s1