2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one

C14H13F3N2O — CID 166464937

IUPAC2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
SMILESCC(C)(C(=O)c1ccccc1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H13F3N2O/c1-13(2,12(20)10-6-4-3-5-7-10)19-9-8-11(18-19)14(15,16)17/h3-9H,1-2H3
InChIKeyYFNOEFROUHMRNG-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.52
Rot. Bonds3

About 2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one

2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one (PubChem CID 166464937) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
PubChem CID166464937
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
SMILESCC(C)(C(=O)c1ccccc1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H13F3N2O/c1-13(2,12(20)10-6-4-3-5-7-10)19-9-8-11(18-19)14(15,16)17/h3-9H,1-2H3
InChIKeyYFNOEFROUHMRNG-UHFFFAOYSA-N
XLogP3.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole
CID 680939
(1,3-dimethyl-1H-pyrazol-4-yl)(phenyl)methanone
CID 673348
1-Phenyl-2-(1H-pyrazol-1-yl)ethanone
CID 2766375
(4-Chloro-phenyl)-(2-methyl-2H-pyrazol-3-yl)-methanone
CID 603786
3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one
CID 5794107
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one
CID 6018480
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6156913
1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811854
1-(4-Fluorophenyl)-2-[4-(1-methyl-5-trifluoromethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 46901908
1-Phenyl-2-pyridazin-1-ium-1-ylethanone;bromide
CID 10779018
2-Phenyl-2-(5-phenyl-1-pyrazolyl)acetophenone
CID 319155
4-benzoyl-1-methyl-1H-pyrazole
CID 13334060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one (CID 166464937) is 2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one is CC(C)(C(=O)c1ccccc1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one?
The InChIKey is YFNOEFROUHMRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-13(2,12(20)10-6-4-3-5-7-10)19-9-8-11(18-19)14(15,16)17/h3-9H,1-2H3.
What are the key properties of 2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one?
2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one has a molecular weight of 282.26 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one is sourced from PubChem (CID 166464937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).