1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one

C10H15FN2O — CID 80695292

IUPAC1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one
SMILESCCC(=O)c1c(C)nn(CCF)c1C
InChIInChI=1S/C10H15FN2O/c1-4-9(14)10-7(2)12-13(6-5-11)8(10)3/h4-6H2,1-3H3
InChIKeyNAYYOPFUZUBOAV-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.06
Rot. Bonds4

About 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one

1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one (PubChem CID 80695292) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one
PubChem CID80695292
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one
SMILESCCC(=O)c1c(C)nn(CCF)c1C
InChIInChI=1S/C10H15FN2O/c1-4-9(14)10-7(2)12-13(6-5-11)8(10)3/h4-6H2,1-3H3
InChIKeyNAYYOPFUZUBOAV-UHFFFAOYSA-N
XLogP2.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one?
The IUPAC name of 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one (CID 80695292) is 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one.
What is the SMILES notation for 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one?
The canonical SMILES for 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one is CCC(=O)c1c(C)nn(CCF)c1C.
What is the InChIKey of 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one?
The InChIKey is NAYYOPFUZUBOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-4-9(14)10-7(2)12-13(6-5-11)8(10)3/h4-6H2,1-3H3.
What are the key properties of 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one?
1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one has a molecular weight of 198.24 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one is sourced from PubChem (CID 80695292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).