2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone

C13H15N3O — CID 105117770

IUPAC2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone
SMILESCCc1ccc(CC(=O)c2ccnn2C)nc1
InChIInChI=1S/C13H15N3O/c1-3-10-4-5-11(14-9-10)8-13(17)12-6-7-15-16(12)2/h4-7,9H,3,8H2,1-2H3
InChIKeyLTHHJEHRAWVYOR-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.80
Rot. Bonds4

About 2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone

2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone (PubChem CID 105117770) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone
PubChem CID105117770
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone
SMILESCCc1ccc(CC(=O)c2ccnn2C)nc1
InChIInChI=1S/C13H15N3O/c1-3-10-4-5-11(14-9-10)8-13(17)12-6-7-15-16(12)2/h4-7,9H,3,8H2,1-2H3
InChIKeyLTHHJEHRAWVYOR-UHFFFAOYSA-N
XLogP1.80
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone (CID 105117770) is 2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone is CCc1ccc(CC(=O)c2ccnn2C)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone?
The InChIKey is LTHHJEHRAWVYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-10-4-5-11(14-9-10)8-13(17)12-6-7-15-16(12)2/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone?
2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone has a molecular weight of 229.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 105117770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).