N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethynyl-aniline

Systemtic Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethynyl-aniline Openeye Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethynyl-aniline CAS Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethynylaniline IUPAC Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethynylaniline Traditional Name: (3,5-dimethyl-1H-pyrazol-4-yl)methyl-(3-ethynylphenyl)amine Formula: C14H15N3 MolecularWeight: 225.289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CNC2=CC=CC(=C2)C#C

Isomeric SMILES

CC1=C(C(=NN1)C)CNC2=CC=CC(=C2)C#C

InChI

InChI=1S/C14H15N3/c1-4-12-6-5-7-13(8-12)15-9-14-10(2)16-17-11(14)3/h1,5-8,15H,9H2,2-3H3,(H,16,17)