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

C7H7F3N2O — CID 7017770

IUPAC1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one
SMILESCC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O/c1-5(13)4-12-3-2-6(11-12)7(8,9)10/h2-3H,4H2,1H3
InChIKeyPXFXQBQKIGSSKH-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.49
Rot. Bonds2

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

1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one (PubChem CID 7017770) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one
PubChem CID7017770
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one
SMILESCC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O/c1-5(13)4-12-3-2-6(11-12)7(8,9)10/h2-3H,4H2,1H3
InChIKeyPXFXQBQKIGSSKH-UHFFFAOYSA-N
XLogP1.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one?
The IUPAC name of 1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one (CID 7017770) is 1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one.
What is the SMILES notation for 1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one?
The canonical SMILES for 1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one is CC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one?
The InChIKey is PXFXQBQKIGSSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-5(13)4-12-3-2-6(11-12)7(8,9)10/h2-3H,4H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one?
1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one has a molecular weight of 192.14 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one is sourced from PubChem (CID 7017770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).