2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one

C11H11F3N4O — CID 79822738

IUPAC2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESCc1cc(-n2[nH]c(C(F)(F)F)c(C)c2=O)nc(C)n1
InChIInChI=1S/C11H11F3N4O/c1-5-4-8(16-7(3)15-5)18-10(19)6(2)9(17-18)11(12,13)14/h4,17H,1-3H3
InChIKeyZIOBGAYVNUCMQS-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.90
Rot. Bonds1

About 2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one

2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one (PubChem CID 79822738) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
PubChem CID79822738
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESCc1cc(-n2[nH]c(C(F)(F)F)c(C)c2=O)nc(C)n1
InChIInChI=1S/C11H11F3N4O/c1-5-4-8(16-7(3)15-5)18-10(19)6(2)9(17-18)11(12,13)14/h4,17H,1-3H3
InChIKeyZIOBGAYVNUCMQS-UHFFFAOYSA-N
XLogP1.90
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one (CID 79822738) is 2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one is Cc1cc(-n2[nH]c(C(F)(F)F)c(C)c2=O)nc(C)n1.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one?
The InChIKey is ZIOBGAYVNUCMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-5-4-8(16-7(3)15-5)18-10(19)6(2)9(17-18)11(12,13)14/h4,17H,1-3H3.
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one?
2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one has a molecular weight of 272.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 79822738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).