ethyl 1-methyl-5-(3-methylbutylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-methyl-5-(3-methylbutylamino)pyrazole-4-carboxylate Openeye Name: ethyl 5-(isopentylamino)-1-methyl-pyrazole-4-carboxylate CAS Name: 1-methyl-5-(3-methylbutylamino)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-(3-methylbutylamino)pyrazole-4-carboxylate Traditional Name: 5-(isoamylamino)-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C12H21N3O2 MolecularWeight: 239.31404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)NCCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)NCCC(C)C

InChI

InChI=1S/C12H21N3O2/c1-5-17-12(16)10-8-14-15(4)11(10)13-7-6-9(2)3/h8-9,13H,5-7H2,1-4H3