2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide

C14H15F3N4O2 — CID 47030841

IUPAC2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
SMILESCC(Cn1cccn1)NC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H15F3N4O2/c1-10(8-21-7-3-5-18-21)19-12(22)9-20-6-2-4-11(13(20)23)14(15,16)17/h2-7,10H,8-9H2,1H3,(H,19,22)
InChIKeyBTSOJCOHYYFINL-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.27
Rot. Bonds5

About 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide

2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide (PubChem CID 47030841) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
PubChem CID47030841
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
SMILESCC(Cn1cccn1)NC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H15F3N4O2/c1-10(8-21-7-3-5-18-21)19-12(22)9-20-6-2-4-11(13(20)23)14(15,16)17/h2-7,10H,8-9H2,1H3,(H,19,22)
InChIKeyBTSOJCOHYYFINL-UHFFFAOYSA-N
XLogP1.27
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide?
The IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide (CID 47030841) is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide is CC(Cn1cccn1)NC(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide?
The InChIKey is BTSOJCOHYYFINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-10(8-21-7-3-5-18-21)19-12(22)9-20-6-2-4-11(13(20)23)14(15,16)17/h2-7,10H,8-9H2,1H3,(H,19,22).
What are the key properties of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide?
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide has a molecular weight of 328.29 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide is sourced from PubChem (CID 47030841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).