(4-chlorophenyl)-[(5R)-3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl]methanone

Systemtic Name: (4-chlorophenyl)-[(5R)-3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl]methanone Openeye Name: (4-chlorophenyl)-[(5R)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]methanone CAS Name: (4-chlorophenyl)-[(5R)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]methanone IUPAC Name: (4-chlorophenyl)-[(5R)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]methanone Traditional Name: (4-chlorophenyl)-[(5R)-5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl]methanone Formula: C12H13ClN2O2 MolecularWeight: 252.69682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)O)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=NN([C@](C1)(C)O)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN2O2/c1-8-7-12(2,17)15(14-8)11(16)9-3-5-10(13)6-4-9/h3-6,17H,7H2,1-2H3/t12-/m1/s1