2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone

C14H16N2O — CID 65195914

IUPAC2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone
SMILESCCc1ccc(CC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C14H16N2O/c1-3-11-4-6-12(7-5-11)8-14(17)13-9-15-16(2)10-13/h4-7,9-10H,3,8H2,1-2H3
InChIKeyIHTJZJURWQIBQB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone

2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 65195914) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID65195914
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone
SMILESCCc1ccc(CC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C14H16N2O/c1-3-11-4-6-12(7-5-11)8-14(17)13-9-15-16(2)10-13/h4-7,9-10H,3,8H2,1-2H3
InChIKeyIHTJZJURWQIBQB-UHFFFAOYSA-N
XLogP2.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82416925
1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one
CID 116604871
2-(4-fluoro-2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanone
CID 114347242
1-(1-methylpyrazol-4-yl)-3-methylsulfanylpropan-1-one
CID 105082349
2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide
CID 60525175
3-(dimethylamino)-1-(1-methylpyrazol-4-yl)propan-1-one
CID 115345842
1-(1-methylpyrazol-4-yl)-3-propoxypropan-1-one
CID 105082295
(2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963914
2-(methylamino)-1-(1-methylpyrazol-4-yl)ethanone
CID 82595196
1-(1-methylpyrazol-4-yl)but-3-yn-1-one
CID 65195300
2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methylpyrazol-4-yl)ethanone
CID 65195239
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone (CID 65195914) is 2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone is CCc1ccc(CC(=O)c2cnn(C)c2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is IHTJZJURWQIBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-11-4-6-12(7-5-11)8-14(17)13-9-15-16(2)10-13/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone?
2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 228.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 65195914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).