1-(2-fluorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone

C14H15FN2O — CID 61237752

IUPAC1-(2-fluorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
SMILESCc1nn(CC(=O)c2ccccc2F)c(C)c1C
InChIInChI=1S/C14H15FN2O/c1-9-10(2)16-17(11(9)3)8-14(18)12-6-4-5-7-13(12)15/h4-7H,8H2,1-3H3
InChIKeyXKIFCDYTJLRHBD-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.83
Rot. Bonds3

About 1-(2-fluorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone

1-(2-fluorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone (PubChem CID 61237752) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
PubChem CID61237752
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-(2-fluorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
SMILESCc1nn(CC(=O)c2ccccc2F)c(C)c1C
InChIInChI=1S/C14H15FN2O/c1-9-10(2)16-17(11(9)3)8-14(18)12-6-4-5-7-13(12)15/h4-7H,8H2,1-3H3
InChIKeyXKIFCDYTJLRHBD-UHFFFAOYSA-N
XLogP2.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone (CID 61237752) is 1-(2-fluorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone is Cc1nn(CC(=O)c2ccccc2F)c(C)c1C.
What is the InChIKey of 1-(2-fluorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The InChIKey is XKIFCDYTJLRHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9-10(2)16-17(11(9)3)8-14(18)12-6-4-5-7-13(12)15/h4-7H,8H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
1-(2-fluorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone has a molecular weight of 246.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 61237752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).