1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one

C11H14N4O — CID 82897306

IUPAC1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one
SMILESCn1cc(NCCn2ccccc2=O)cn1
InChIInChI=1S/C11H14N4O/c1-14-9-10(8-13-14)12-5-7-15-6-3-2-4-11(15)16/h2-4,6,8-9,12H,5,7H2,1H3
InChIKeyGNOLZIAHLCRDGS-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.69
Rot. Bonds4

About 1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one

1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one (PubChem CID 82897306) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one
PubChem CID82897306
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one
SMILESCn1cc(NCCn2ccccc2=O)cn1
InChIInChI=1S/C11H14N4O/c1-14-9-10(8-13-14)12-5-7-15-6-3-2-4-11(15)16/h2-4,6,8-9,12H,5,7H2,1H3
InChIKeyGNOLZIAHLCRDGS-UHFFFAOYSA-N
XLogP0.69
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one (CID 82897306) is 1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one is Cn1cc(NCCn2ccccc2=O)cn1.
What is the InChIKey of 1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one?
The InChIKey is GNOLZIAHLCRDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-14-9-10(8-13-14)12-5-7-15-6-3-2-4-11(15)16/h2-4,6,8-9,12H,5,7H2,1H3.
What are the key properties of 1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one?
1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one has a molecular weight of 218.26 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 82897306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).