3-[(1-ethylpyrazol-4-yl)methyl]-1H-pyridin-2-one

C11H13N3O — CID 162690429

IUPAC3-[(1-ethylpyrazol-4-yl)methyl]-1H-pyridin-2-one
SMILESCCn1cc(Cc2ccc[nH]c2=O)cn1
InChIInChI=1S/C11H13N3O/c1-2-14-8-9(7-13-14)6-10-4-3-5-12-11(10)15/h3-5,7-8H,2,6H2,1H3,(H,12,15)
InChIKeyLNZFCALTSWFOMV-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.18
Rot. Bonds3

About 3-[(1-ethylpyrazol-4-yl)methyl]-1H-pyridin-2-one

3-[(1-ethylpyrazol-4-yl)methyl]-1H-pyridin-2-one (PubChem CID 162690429) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-[(1-ethylpyrazol-4-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1-ethylpyrazol-4-yl)methyl]-1H-pyridin-2-one
PubChem CID162690429
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-[(1-ethylpyrazol-4-yl)methyl]-1H-pyridin-2-one
SMILESCCn1cc(Cc2ccc[nH]c2=O)cn1
InChIInChI=1S/C11H13N3O/c1-2-14-8-9(7-13-14)6-10-4-3-5-12-11(10)15/h3-5,7-8H,2,6H2,1H3,(H,12,15)
InChIKeyLNZFCALTSWFOMV-UHFFFAOYSA-N
XLogP1.18
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrazol-4-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(1-ethylpyrazol-4-yl)methyl]-1H-pyridin-2-one (CID 162690429) is 3-[(1-ethylpyrazol-4-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1-ethylpyrazol-4-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(1-ethylpyrazol-4-yl)methyl]-1H-pyridin-2-one is CCn1cc(Cc2ccc[nH]c2=O)cn1.
What is the InChIKey of 3-[(1-ethylpyrazol-4-yl)methyl]-1H-pyridin-2-one?
The InChIKey is LNZFCALTSWFOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-14-8-9(7-13-14)6-10-4-3-5-12-11(10)15/h3-5,7-8H,2,6H2,1H3,(H,12,15).
What are the key properties of 3-[(1-ethylpyrazol-4-yl)methyl]-1H-pyridin-2-one?
3-[(1-ethylpyrazol-4-yl)methyl]-1H-pyridin-2-one has a molecular weight of 203.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrazol-4-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 162690429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).