1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone

C13H11F3N2O — CID 115093201

IUPAC1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nn1C
InChIInChI=1S/C13H11F3N2O/c1-8(19)12-7-11(17-18(12)2)9-3-5-10(6-4-9)13(14,15)16/h3-7H,1-2H3
InChIKeyRHNKPFUITZJGGA-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.31
Rot. Bonds2

About 1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone

1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone (PubChem CID 115093201) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone
PubChem CID115093201
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nn1C
InChIInChI=1S/C13H11F3N2O/c1-8(19)12-7-11(17-18(12)2)9-3-5-10(6-4-9)13(14,15)16/h3-7H,1-2H3
InChIKeyRHNKPFUITZJGGA-UHFFFAOYSA-N
XLogP3.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 13370512
5-(chloromethyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole
CID 21082224
3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl chloride
CID 83381357
[4-(trifluoromethyl)phenyl] 3-amino-1-methylpyrazole-5-carboxylate
CID 117218388
1-(1-methyl-3-pyrimidin-2-ylpyrazol-5-yl)ethanone
CID 170389543
1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 45497134
1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone
CID 115092922
2-chloro-1-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanone
CID 134085993
3-(4-fluorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 174832317
(E)-1-[3-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]pent-2-ene-1,4-dione
CID 141462147
3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 93014229
N-[4-[5-[(Z)-4-oxopent-2-enoyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]phenyl]acetamide
CID 141462200

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone?
The IUPAC name of 1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone (CID 115093201) is 1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone?
The canonical SMILES for 1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone is CC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nn1C.
What is the InChIKey of 1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone?
The InChIKey is RHNKPFUITZJGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-8(19)12-7-11(17-18(12)2)9-3-5-10(6-4-9)13(14,15)16/h3-7H,1-2H3.
What are the key properties of 1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone?
1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone has a molecular weight of 268.24 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone is sourced from PubChem (CID 115093201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).