1-(1-Methyl-1H-pyrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one

HCID 86684875
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Basic information

Standard SMILES
Cn1nccc1C(=O)C#Cc1ccc(C(F)(F)F)cc1
InChIKey
LMDZJGCXQJVEHB-UHFFFAOYSA-N
Molecular formula
C14H9F3N2O
Average molar mass
278.23 g/mol

Names & identifiers

Preferred name
1-(1-Methyl-1H-pyrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one
IUPAC
1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one

Names & synonyms

1-(1-Methyl-1H-pyrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-oneSCHEMBL14938206

Database identifiers

PubChem CID
86684875

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
34.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

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