2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone

C15H17FN2O — CID 114980916

IUPAC2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone
SMILESCCc1cc(CC(=O)c2cc(C)ccc2F)n(C)n1
InChIInChI=1S/C15H17FN2O/c1-4-11-8-12(18(3)17-11)9-15(19)13-7-10(2)5-6-14(13)16/h5-8H,4,9H2,1-3H3
InChIKeyPKMTXJCNYAQMLC-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.86
Rot. Bonds4

About 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone

2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone (PubChem CID 114980916) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone
PubChem CID114980916
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone
SMILESCCc1cc(CC(=O)c2cc(C)ccc2F)n(C)n1
InChIInChI=1S/C15H17FN2O/c1-4-11-8-12(18(3)17-11)9-15(19)13-7-10(2)5-6-14(13)16/h5-8H,4,9H2,1-3H3
InChIKeyPKMTXJCNYAQMLC-UHFFFAOYSA-N
XLogP2.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105109982
1-(3,4-dichlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 81491473
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 113329351
1-(3-amino-4-methylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116550975
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847846
1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116601864
2-(2,6-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 115792624
(3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol
CID 105094194
1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 114905757
1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone
CID 114974192
1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one
CID 114980926
1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105109961

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone (CID 114980916) is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone is CCc1cc(CC(=O)c2cc(C)ccc2F)n(C)n1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone?
The InChIKey is PKMTXJCNYAQMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-4-11-8-12(18(3)17-11)9-15(19)13-7-10(2)5-6-14(13)16/h5-8H,4,9H2,1-3H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone?
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone has a molecular weight of 260.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone is sourced from PubChem (CID 114980916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).