3-ethynyl-N-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methyl]aniline

Systemtic Name: 3-ethynyl-N-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methyl]aniline Openeye Name: 3-ethynyl-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]aniline CAS Name: 3-ethynyl-N-[(1-methyl-3-propan-2-yl-4-pyrazolyl)methyl]aniline IUPAC Name: 3-ethynyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline Traditional Name: (3-ethynylphenyl)-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]amine Formula: C16H19N3 MolecularWeight: 253.34216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C=C1CNC2=CC=CC(=C2)C#C)C

Isomeric SMILES

CC(C)C1=NN(C=C1CNC2=CC=CC(=C2)C#C)C

InChI

InChI=1S/C16H19N3/c1-5-13-7-6-8-15(9-13)17-10-14-11-19(4)18-16(14)12(2)3/h1,6-9,11-12,17H,10H2,2-4H3