2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C14H15F3N4O2 — CID 51210114

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C14H15F3N4O2/c1-8-13(9(2)20(3)19-8)18-11(22)7-21-6-10(14(15,16)17)4-5-12(21)23/h4-6H,7H2,1-3H3,(H,18,22)
InChIKeyPXEYHJKCVMLZBX-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.86
Rot. Bonds3

About 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 51210114) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID51210114
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C14H15F3N4O2/c1-8-13(9(2)20(3)19-8)18-11(22)7-21-6-10(14(15,16)17)4-5-12(21)23/h4-6H,7H2,1-3H3,(H,18,22)
InChIKeyPXEYHJKCVMLZBX-UHFFFAOYSA-N
XLogP1.86
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 51210114) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is PXEYHJKCVMLZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-8-13(9(2)20(3)19-8)18-11(22)7-21-6-10(14(15,16)17)4-5-12(21)23/h4-6H,7H2,1-3H3,(H,18,22).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 328.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 51210114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).