3-butyl-1-(3-phenylpropanoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
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Basic information
- CAS
312537-80-7- Standard SMILES
CCCCC1=NN(C(=O)CCc2ccccc2)C(O)(C(F)(F)F)C1- InChIKey
DLCUNDJXHJZHMZ-UHFFFAOYSA-N- Molecular formula
- C17H21F3N2O2
- Average molar mass
- 342.36 g/mol
Names & identifiers
- Preferred name
- 3-butyl-1-(3-phenylpropanoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
- IUPAC
- 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-phenylpropan-1-one
- English name
- 3-butyl-1-(3-phenylpropanoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
- Molecular formula
- C17H21F3N2O2
- Molecular weight
- 342.36
Names & synonyms
1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-phenylpropan-1-one3-butyl-1-(3-phenylpropanoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-3-phenylpropan-1-oneSTK794727AKOS000602333AKOS0219960191-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-phenylpropan-1-oneEU-0075400AG-205/11947083AG-690/128913091-Propanone, 1-[3-butyl-4,5-dihydro-5-hydroxy-5-(trifluoromethyl)-1H-pyrazol-1-yl]-3-phenyl-
Database identifiers
- CAS
312537-80-7
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 473
Physicochemical properties
- Boiling point
- 427.6 · 427.6±55.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 9.45 · 9.45±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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