N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-pyrazin-2-yl-ethanamine

Systemtic Name: N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-pyrazin-2-yl-ethanamine Openeye Name: N-[[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-pyrazin-2-yl-ethanamine CAS Name: N-[[3-(2,5-dimethyl-3-thiophenyl)-1-(2-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyrazinyl)ethanamine IUPAC Name: N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-pyrazin-2-ylethanamine Traditional Name: [3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl-(2-pyrazin-2-ylethyl)amine Formula: C22H22FN5S MolecularWeight: 407.506983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NN(C=C2CNCCC3=NC=CN=C3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NN(C=C2CNCCC3=NC=CN=C3)C4=CC=CC=C4F

InChI

InChI=1S/C22H22FN5S/c1-15-11-19(16(2)29-15)22-17(12-24-8-7-18-13-25-9-10-26-18)14-28(27-22)21-6-4-3-5-20(21)23/h3-6,9-11,13-14,24H,7-8,12H2,1-2H3