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

C7H7F3N2O — CID 10877965

IUPAC1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c1-4(13)5-3-12(2)11-6(5)7(8,9)10/h3H,1-2H3
InChIKeyBXPYXUULYZZKNA-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.64
Rot. Bonds1

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

1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone (PubChem CID 10877965) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
PubChem CID10877965
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c1-4(13)5-3-12(2)11-6(5)7(8,9)10/h3H,1-2H3
InChIKeyBXPYXUULYZZKNA-UHFFFAOYSA-N
XLogP1.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone (CID 10877965) is 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone is CC(=O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
The InChIKey is BXPYXUULYZZKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-4(13)5-3-12(2)11-6(5)7(8,9)10/h3H,1-2H3.
What are the key properties of 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone has a molecular weight of 192.14 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 10877965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).