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

C16H19FN2O2 — CID 115778768

IUPAC2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCCc1cc(CC(=O)c2ccc(OC)c(F)c2)n(CC)n1
InChIInChI=1S/C16H19FN2O2/c1-4-12-9-13(19(5-2)18-12)10-15(20)11-6-7-16(21-3)14(17)8-11/h6-9H,4-5,10H2,1-3H3
InChIKeySAWUXXIGFWEAOV-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.04
Rot. Bonds6

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

2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 115778768) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID115778768
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCCc1cc(CC(=O)c2ccc(OC)c(F)c2)n(CC)n1
InChIInChI=1S/C16H19FN2O2/c1-4-12-9-13(19(5-2)18-12)10-15(20)11-6-7-16(21-3)14(17)8-11/h6-9H,4-5,10H2,1-3H3
InChIKeySAWUXXIGFWEAOV-UHFFFAOYSA-N
XLogP3.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 115778986
1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 114905757
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 116554232
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 105086017
1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 116602446
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 64560034
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
1-(3-fluoro-4-methoxyphenyl)-2-(3-hydroxypropylsulfanyl)ethanone
CID 66128941
2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115800924

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 115778768) is 2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone is CCc1cc(CC(=O)c2ccc(OC)c(F)c2)n(CC)n1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is SAWUXXIGFWEAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-4-12-9-13(19(5-2)18-12)10-15(20)11-6-7-16(21-3)14(17)8-11/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 290.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 115778768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).