1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone

C7H7F3N2O — CID 140870847

IUPAC1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(C(F)(F)CF)c1
InChIInChI=1S/C7H7F3N2O/c1-5(13)6-2-11-12(3-6)7(9,10)4-8/h2-3H,4H2,1H3
InChIKeyWVRPGZVGYWFLFU-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.60
Rot. Bonds3

About 1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone

1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone (PubChem CID 140870847) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone
PubChem CID140870847
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(C(F)(F)CF)c1
InChIInChI=1S/C7H7F3N2O/c1-5(13)6-2-11-12(3-6)7(9,10)4-8/h2-3H,4H2,1H3
InChIKeyWVRPGZVGYWFLFU-UHFFFAOYSA-N
XLogP1.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]ethanone
CID 84659607
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone
CID 84732384
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanone
CID 62728179
3-(4-acetylpyrazol-1-yl)propanenitrile
CID 122240670
1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone
CID 123669934
1-tert-butylpyrazole-4-carbonyl chloride
CID 130058183
1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]ethanone
CID 83811631
1-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
CID 86833630
1-(1-pentan-2-ylpyrazol-4-yl)ethanone
CID 107886856
1,1,1-trifluoropropan-2-yl 1-tert-butylpyrazole-4-carboxylate
CID 71987390
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-yl]ethanone
CID 107886857

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone (CID 140870847) is 1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone is CC(=O)c1cnn(C(F)(F)CF)c1.
What is the InChIKey of 1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone?
The InChIKey is WVRPGZVGYWFLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-5(13)6-2-11-12(3-6)7(9,10)4-8/h2-3H,4H2,1H3.
What are the key properties of 1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone?
1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone has a molecular weight of 192.14 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 140870847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).