2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone

C16H19FN2O2 — CID 61239022

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCCc1c(C)nn(CC(=O)c2cc(F)ccc2OC)c1C
InChIInChI=1S/C16H19FN2O2/c1-5-13-10(2)18-19(11(13)3)9-15(20)14-8-12(17)6-7-16(14)21-4/h6-8H,5,9H2,1-4H3
InChIKeyDUVMLLMBHMJQAF-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.09
Rot. Bonds5

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 61239022) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID61239022
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCCc1c(C)nn(CC(=O)c2cc(F)ccc2OC)c1C
InChIInChI=1S/C16H19FN2O2/c1-5-13-10(2)18-19(11(13)3)9-15(20)14-8-12(17)6-7-16(14)21-4/h6-8H,5,9H2,1-4H3
InChIKeyDUVMLLMBHMJQAF-UHFFFAOYSA-N
XLogP3.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone (CID 61239022) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone is CCc1c(C)nn(CC(=O)c2cc(F)ccc2OC)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is DUVMLLMBHMJQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-5-13-10(2)18-19(11(13)3)9-15(20)14-8-12(17)6-7-16(14)21-4/h6-8H,5,9H2,1-4H3.
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 290.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 61239022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).