2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone

C17H22N2O — CID 115778740

IUPAC2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone
SMILESCCc1cc(CC(=O)c2cc(C)cc(C)c2)n(CC)n1
InChIInChI=1S/C17H22N2O/c1-5-15-10-16(19(6-2)18-15)11-17(20)14-8-12(3)7-13(4)9-14/h7-10H,5-6,11H2,1-4H3
InChIKeyCPERBNWCZMYZIP-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.51
Rot. Bonds5

About 2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone

2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone (PubChem CID 115778740) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone
PubChem CID115778740
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone
SMILESCCc1cc(CC(=O)c2cc(C)cc(C)c2)n(CC)n1
InChIInChI=1S/C17H22N2O/c1-5-15-10-16(19(6-2)18-15)11-17(20)14-8-12(3)7-13(4)9-14/h7-10H,5-6,11H2,1-4H3
InChIKeyCPERBNWCZMYZIP-UHFFFAOYSA-N
XLogP3.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 115778986
2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115778768
4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 79076883
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 103407763
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 116554232
1-(4,5-dibromothiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 115778844
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115779721
1-(1,3-diethylpyrazol-5-yl)heptan-2-one
CID 115778877
1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 113398236
1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 114905757
1-(1,3-diethylpyrazol-5-yl)-4-(methylamino)butan-2-one
CID 116561204

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone (CID 115778740) is 2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone is CCc1cc(CC(=O)c2cc(C)cc(C)c2)n(CC)n1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone?
The InChIKey is CPERBNWCZMYZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-15-10-16(19(6-2)18-15)11-17(20)14-8-12(3)7-13(4)9-14/h7-10H,5-6,11H2,1-4H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone?
2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone has a molecular weight of 270.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 115778740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).