ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one

C13H16F3N3O — CID 178058226

IUPACethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
SMILESCC.Cn1nc(C(F)(F)F)cc1-c1ccn(C)c(=O)c1
InChIInChI=1S/C11H10F3N3O.C2H6/c1-16-4-3-7(5-10(16)18)8-6-9(11(12,13)14)15-17(8)2;1-2/h3-6H,1-2H3;1-2H3
InChIKeyCFPOYAZDYVNYDV-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.83
Rot. Bonds1

About ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one

ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one (PubChem CID 178058226) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Nameethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
PubChem CID178058226
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Nameethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
SMILESCC.Cn1nc(C(F)(F)F)cc1-c1ccn(C)c(=O)c1
InChIInChI=1S/C11H10F3N3O.C2H6/c1-16-4-3-7(5-10(16)18)8-6-9(11(12,13)14)15-17(8)2;1-2/h3-6H,1-2H3;1-2H3
InChIKeyCFPOYAZDYVNYDV-UHFFFAOYSA-N
XLogP2.83
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one?
The IUPAC name of ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one (CID 178058226) is ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one.
What is the SMILES notation for ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one?
The canonical SMILES for ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one is CC.Cn1nc(C(F)(F)F)cc1-c1ccn(C)c(=O)c1.
What is the InChIKey of ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one?
The InChIKey is CFPOYAZDYVNYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O.C2H6/c1-16-4-3-7(5-10(16)18)8-6-9(11(12,13)14)15-17(8)2;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one?
ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one has a molecular weight of 287.29 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one is sourced from PubChem (CID 178058226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).