5-azanyl-2-[(2S)-butan-2-yl]-4-chloranyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-azanyl-2-[(2S)-butan-2-yl]-4-chloranyl-pyrazole-3-carboxylic acid Openeye Name: 5-amino-4-chloro-2-[(1S)-1-methylpropyl]pyrazole-3-carboxylic acid CAS Name: 5-amino-2-[(2S)-butan-2-yl]-4-chloro-3-pyrazolecarboxylic acid IUPAC Name: 5-amino-2-[(2S)-butan-2-yl]-4-chloropyrazole-3-carboxylic acid Traditional Name: 5-amino-4-chloro-2-[(1S)-1-methylpropyl]pyrazole-3-carboxylic acid Formula: C8H12ClN3O2 MolecularWeight: 217.65278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C(C(=N1)N)Cl)C(=O)O

Isomeric SMILES

CC[C@H](C)N1C(=C(C(=N1)N)Cl)C(=O)O

InChI

InChI=1S/C8H12ClN3O2/c1-3-4(2)12-6(8(13)14)5(9)7(10)11-12/h4H,3H2,1-2H3,(H2,10,11)(H,13,14)/t4-/m0/s1