927636-25-7 Purity
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Specification
The molecular formula of the compound is C8H12ClN3O.
The molecular weight of the compound is 201.65 g/mol.
The IUPAC name of the compound is 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
The InChI of the compound is InChI=1S/C8H12ClN3O/c1-5-8(10-7(13)4-9)6(2)12(3)11-5/h4H2,1-3H3,(H,10,13).
The InChIKey of the compound is FTJPNEYQAUHDTG-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC1=C(C(=NN1C)C)NC(=O)CCl.
The CAS number of the compound is 90153-58-5.
The ChEMBL ID of the compound is CHEMBL1625209.
The XLogP3-AA value of the compound is 0.8.
Yes, the compound is canonicalized.