CAS: 122431-37-2
名称: 2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILES:
CN1C(=O)C=C(N1)C(F)(F)FMolecular Processing
Molecular formula
C5H5F3N2O
Molecular weight
166.1
Exact mass
166.0354
XLogP
0.73
TPSA
37.79
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
31.04
Supplementary Information
InChIKey: WQRHIGNAKDJJKN-UHFFFAOYSA-N
同義語
1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol122431-37-2DTXSID40361268RefChem:434191DTXCID00312317626-417-31H-Pyrazol-5-ol, 1-methyl-3-(trifluoromethyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-oneMFCD001398335-Hydroxy-1-methyl-3-(trifluoromethyl)pyrazole5-HYDROXY-1-METHYL-3-TRIFLUOROMETHYL-1H-PYRAZOLE2-methyl-5-(trifluoromethyl)pyrazol-3-ol1-Methyl-3-trifluoromethyl-1H-pyrazol-5-ol1-methyl-3-trifluoromethyl-5-hydroxypyrazole2-Methyl-5-trifluoromethyl-2H-pyrazol-3-ol2-Methyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one1-methyl-5-hydroxy-3-(trifluoromethyl)pyrazolePyroxasulfone Impurity 52-Methyl-3-hydroxy-5-trifluoromethylpyrazoleBionet2_000182356759-12-1MLS000756059SCHEMBL537472SCHEMBL758498orb3030472SCHEMBL2262355SCHEMBL6440233SCHEMBL6440235CHEMBL3145182LVXYUCMRJAIULG-UHFFFAOYSA-N
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