ethyl 5-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-1-(3-fluorophenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-1-(3-fluorophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-1-(3-fluorophenyl)pyrazole-4-carboxylate CAS Name: 5-[[(1,3-dimethyl-4-pyrazolyl)methylamino]methyl]-1-(3-fluorophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-1-(3-fluorophenyl)pyrazole-4-carboxylate Traditional Name: 5-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-1-(3-fluorophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C19H22FN5O2 MolecularWeight: 371.408683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)CNCC3=CN(N=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)CNCC3=CN(N=C3C)C

InChI

InChI=1S/C19H22FN5O2/c1-4-27-19(26)17-10-22-25(16-7-5-6-15(20)8-16)18(17)11-21-9-14-12-24(3)23-13(14)2/h5-8,10,12,21H,4,9,11H2,1-3H3