1-[5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone

C13H13FN2O2 — CID 134315523

IUPAC1-[5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone
SMILESCOc1cc(F)ccc1-c1cc(C(C)=O)nn1C
InChIInChI=1S/C13H13FN2O2/c1-8(17)11-7-12(16(2)15-11)10-5-4-9(14)6-13(10)18-3/h4-7H,1-3H3
InChIKeyOIPQTEMNTNVDIO-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.44
Rot. Bonds3

About 1-[5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone

1-[5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone (PubChem CID 134315523) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-[5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone
PubChem CID134315523
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name1-[5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone
SMILESCOc1cc(F)ccc1-c1cc(C(C)=O)nn1C
InChIInChI=1S/C13H13FN2O2/c1-8(17)11-7-12(16(2)15-11)10-5-4-9(14)6-13(10)18-3/h4-7H,1-3H3
InChIKeyOIPQTEMNTNVDIO-UHFFFAOYSA-N
XLogP2.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone?
The IUPAC name of 1-[5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone (CID 134315523) is 1-[5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone is COc1cc(F)ccc1-c1cc(C(C)=O)nn1C.
What is the InChIKey of 1-[5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone?
The InChIKey is OIPQTEMNTNVDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8(17)11-7-12(16(2)15-11)10-5-4-9(14)6-13(10)18-3/h4-7H,1-3H3.
What are the key properties of 1-[5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone?
1-[5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone has a molecular weight of 248.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone is sourced from PubChem (CID 134315523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).