N-[(2S)-butan-2-yl]-5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide Openeye Name: 5-chloro-1-isobutyl-3-methyl-N-[(1S)-1-methylpropyl]pyrazole-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide Traditional Name: 5-chloro-1-isobutyl-3-methyl-N-[(1S)-1-methylpropyl]pyrazole-4-carboxamide Formula: C13H22ClN3O MolecularWeight: 271.78628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(N(N=C1C)CC(C)C)Cl

Isomeric SMILES

CC[C@H](C)NC(=O)C1=C(N(N=C1C)CC(C)C)Cl

InChI

InChI=1S/C13H22ClN3O/c1-6-9(4)15-13(18)11-10(5)16-17(12(11)14)7-8(2)3/h8-9H,6-7H2,1-5H3,(H,15,18)/t9-/m0/s1