1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone

C14H15FN2O — CID 130439709

IUPAC1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone
SMILESCCc1ccc(-c2cc(C)n(C(C)=O)n2)cc1F
InChIInChI=1S/C14H15FN2O/c1-4-11-5-6-12(8-13(11)15)14-7-9(2)17(16-14)10(3)18/h5-8H,4H2,1-3H3
InChIKeyZWFGGXBFTPYPPX-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.22
Rot. Bonds2

About 1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone

1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone (PubChem CID 130439709) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone
PubChem CID130439709
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone
SMILESCCc1ccc(-c2cc(C)n(C(C)=O)n2)cc1F
InChIInChI=1S/C14H15FN2O/c1-4-11-5-6-12(8-13(11)15)14-7-9(2)17(16-14)10(3)18/h5-8H,4H2,1-3H3
InChIKeyZWFGGXBFTPYPPX-UHFFFAOYSA-N
XLogP3.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone?
The IUPAC name of 1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone (CID 130439709) is 1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone is CCc1ccc(-c2cc(C)n(C(C)=O)n2)cc1F.
What is the InChIKey of 1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone?
The InChIKey is ZWFGGXBFTPYPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-4-11-5-6-12(8-13(11)15)14-7-9(2)17(16-14)10(3)18/h5-8H,4H2,1-3H3.
What are the key properties of 1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone?
1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone has a molecular weight of 246.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone is sourced from PubChem (CID 130439709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).