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

C15H21F3N4O — CID 178058423

IUPAC1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one;ethane
SMILESCC.CC(C)(N)Cn1nc(C(F)(F)F)cc1-n1ccccc1=O
InChIInChI=1S/C13H15F3N4O.C2H6/c1-12(2,17)8-20-10(7-9(18-20)13(14,15)16)19-6-4-3-5-11(19)21;1-2/h3-7H,8,17H2,1-2H3;1-2H3
InChIKeyPXDJURZIQOZFET-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.82
Rot. Bonds3

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

1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one;ethane (PubChem CID 178058423) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one;ethane.

Molecular Properties

Compound Name1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one;ethane
PubChem CID178058423
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one;ethane
SMILESCC.CC(C)(N)Cn1nc(C(F)(F)F)cc1-n1ccccc1=O
InChIInChI=1S/C13H15F3N4O.C2H6/c1-12(2,17)8-20-10(7-9(18-20)13(14,15)16)19-6-4-3-5-11(19)21;1-2/h3-7H,8,17H2,1-2H3;1-2H3
InChIKeyPXDJURZIQOZFET-UHFFFAOYSA-N
XLogP2.82
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one;ethane?
The IUPAC name of 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one;ethane (CID 178058423) is 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one;ethane.
What is the SMILES notation for 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one;ethane?
The canonical SMILES for 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one;ethane is CC.CC(C)(N)Cn1nc(C(F)(F)F)cc1-n1ccccc1=O.
What is the InChIKey of 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one;ethane?
The InChIKey is PXDJURZIQOZFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O.C2H6/c1-12(2,17)8-20-10(7-9(18-20)13(14,15)16)19-6-4-3-5-11(19)21;1-2/h3-7H,8,17H2,1-2H3;1-2H3.
What are the key properties of 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one;ethane?
1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one;ethane has a molecular weight of 330.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one;ethane is sourced from PubChem (CID 178058423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).