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

C12H13F3N4O — CID 148554896

IUPAC3-(ethylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESCCNc1cc(C(F)(F)F)cn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C12H13F3N4O/c1-3-16-10-4-8(12(13,14)15)6-19(11(10)20)9-5-17-18(2)7-9/h4-7,16H,3H2,1-2H3
InChIKeyMTWFWIXWQUYQOQ-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.02
Rot. Bonds3

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

3-(ethylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 148554896) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-(ethylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID148554896
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name3-(ethylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESCCNc1cc(C(F)(F)F)cn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C12H13F3N4O/c1-3-16-10-4-8(12(13,14)15)6-19(11(10)20)9-5-17-18(2)7-9/h4-7,16H,3H2,1-2H3
InChIKeyMTWFWIXWQUYQOQ-UHFFFAOYSA-N
XLogP2.02
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-(ethylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one (CID 148554896) is 3-(ethylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-(ethylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one is CCNc1cc(C(F)(F)F)cn(-c2cnn(C)c2)c1=O.
What is the InChIKey of 3-(ethylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is MTWFWIXWQUYQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-3-16-10-4-8(12(13,14)15)6-19(11(10)20)9-5-17-18(2)7-9/h4-7,16H,3H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one?
3-(ethylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 286.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 148554896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).