3-(methylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one

C11H11F3N4O — CID 137449039

IUPAC3-(methylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESCNc1cc(C(F)(F)F)cn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C11H11F3N4O/c1-15-9-3-7(11(12,13)14)5-18(10(9)19)8-4-16-17(2)6-8/h3-6,15H,1-2H3
InChIKeyWOHVENSQJBSJDG-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.63
Rot. Bonds2

About 3-(methylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one

3-(methylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 137449039) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 3-(methylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID137449039
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name3-(methylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESCNc1cc(C(F)(F)F)cn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C11H11F3N4O/c1-15-9-3-7(11(12,13)14)5-18(10(9)19)8-4-16-17(2)6-8/h3-6,15H,1-2H3
InChIKeyWOHVENSQJBSJDG-UHFFFAOYSA-N
XLogP1.63
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-(methylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one (CID 137449039) is 3-(methylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-(methylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-(methylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one is CNc1cc(C(F)(F)F)cn(-c2cnn(C)c2)c1=O.
What is the InChIKey of 3-(methylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is WOHVENSQJBSJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-15-9-3-7(11(12,13)14)5-18(10(9)19)8-4-16-17(2)6-8/h3-6,15H,1-2H3.
What are the key properties of 3-(methylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one?
3-(methylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 272.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 137449039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).