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

C11H11F3N4O — CID 66021877

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESCc1cc(C)nc(-n2[nH]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/h4,17H,1-3H3
InChIKeyGKGHKXGZROOTHI-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.90
Rot. Bonds1

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

2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one (PubChem CID 66021877) 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)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
PubChem CID66021877
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESCc1cc(C)nc(-n2[nH]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/h4,17H,1-3H3
InChIKeyGKGHKXGZROOTHI-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

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Related Compounds

1-[(4,6-Dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione
CID 2028070
2-(4,6-dimethylpyrimidin-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
CID 4890845
2-(4,6-Dimethylpyrimidin-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
CID 12771908
N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide
CID 685250
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
CID 16442200
4-(2-hydroxyethyl)-5-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazol-3-one
CID 12174743
N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
CID 24827743
2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136901620
5-[[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile
CID 58712525
1,5-Dimethyl-2-(4,6-dimethylpyrimidin-2-yl)-1,2-dihydro-3h-pyrazol-3-one
CID 12771912
4,6-Dimethyl-2-pyrimidinylacetic acid hydrazide
CID 129796361
2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-1H-pyrimidin-4-one
CID 135462624

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one (CID 66021877) is 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one is Cc1cc(C)nc(-n2[nH]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)-1H-pyrazol-3-one?
The InChIKey is GKGHKXGZROOTHI-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/h4,17H,1-3H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one?
2-(4,6-dimethylpyrimidin-2-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-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66021877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).