methyl 5-[(4-bromophenyl)methyl]-3-methyl-1-propyl-pyrazole-4-carboxylate

Systemtic Name: methyl 5-[(4-bromophenyl)methyl]-3-methyl-1-propyl-pyrazole-4-carboxylate Openeye Name: methyl 5-[(4-bromophenyl)methyl]-3-methyl-1-propyl-pyrazole-4-carboxylate CAS Name: 5-[(4-bromophenyl)methyl]-3-methyl-1-propyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-bromophenyl)methyl]-3-methyl-1-propylpyrazole-4-carboxylate Traditional Name: 5-(4-bromobenzyl)-3-methyl-1-propyl-pyrazole-4-carboxylic acid methyl ester Formula: C16H19BrN2O2 MolecularWeight: 351.23826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)C)C(=O)OC)CC2=CC=C(C=C2)Br

Isomeric SMILES

CCCN1C(=C(C(=N1)C)C(=O)OC)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H19BrN2O2/c1-4-9-19-14(10-12-5-7-13(17)8-6-12)15(11(2)18-19)16(20)21-3/h5-8H,4,9-10H2,1-3H3