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

C11H11F3N4O — CID 63742908

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one
SMILESCc1cc(C)nc(N2N=C(C(F)(F)F)C(C)C2=O)n1
InChIInChI=1S/C11H11F3N4O/c1-5-4-6(2)16-10(15-5)18-9(19)7(3)8(17-18)11(12,13)14/h4,7H,1-3H3
InChIKeyTZZOEOHUFZJXQX-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.99
Rot. Bonds1

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

2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one (PubChem CID 63742908) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one
PubChem CID63742908
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one
SMILESCc1cc(C)nc(N2N=C(C(F)(F)F)C(C)C2=O)n1
InChIInChI=1S/C11H11F3N4O/c1-5-4-6(2)16-10(15-5)18-9(19)7(3)8(17-18)11(12,13)14/h4,7H,1-3H3
InChIKeyTZZOEOHUFZJXQX-UHFFFAOYSA-N
XLogP1.99
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one (CID 63742908) is 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one is Cc1cc(C)nc(N2N=C(C(F)(F)F)C(C)C2=O)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one?
The InChIKey is TZZOEOHUFZJXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-5-4-6(2)16-10(15-5)18-9(19)7(3)8(17-18)11(12,13)14/h4,7H,1-3H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one?
2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one has a molecular weight of 272.23 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one is sourced from PubChem (CID 63742908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).