4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-2-one

C11H10F3N3O2 — CID 11140268

IUPAC4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-2-one
SMILESCc1cc(Oc2cc(C(F)(F)F)nn2C)[nH]c(=O)c1
InChIInChI=1S/C11H10F3N3O2/c1-6-3-8(18)15-9(4-6)19-10-5-7(11(12,13)14)16-17(10)2/h3-5H,1-2H3,(H,15,18)
InChIKeyWMYPYEUTRVOCQR-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.23
Rot. Bonds2

About 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-2-one

4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-2-one (PubChem CID 11140268) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-2-one
PubChem CID11140268
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-2-one
SMILESCc1cc(Oc2cc(C(F)(F)F)nn2C)[nH]c(=O)c1
InChIInChI=1S/C11H10F3N3O2/c1-6-3-8(18)15-9(4-6)19-10-5-7(11(12,13)14)16-17(10)2/h3-5H,1-2H3,(H,15,18)
InChIKeyWMYPYEUTRVOCQR-UHFFFAOYSA-N
XLogP2.23
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2,5-dihydro-1,2-oxazole
CID 124014281
4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridazin-6-one
CID 141369653
3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyrazole;2,4-dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-one
CID 158455170
[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl] carbamate
CID 169777660
3-amino-6-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-4-one
CID 177952926
1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate
CID 3401703
1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-propylcarbamate
CID 3779301
2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
CID 130497701
(2,5-Dimethylpyrazol-3-yl) carbamate
CID 174545220

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-2-one?
The IUPAC name of 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-2-one (CID 11140268) is 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-2-one is Cc1cc(Oc2cc(C(F)(F)F)nn2C)[nH]c(=O)c1.
What is the InChIKey of 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-2-one?
The InChIKey is WMYPYEUTRVOCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-6-3-8(18)15-9(4-6)19-10-5-7(11(12,13)14)16-17(10)2/h3-5H,1-2H3,(H,15,18).
What are the key properties of 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-2-one?
4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-2-one has a molecular weight of 273.21 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1H-pyridin-2-one is sourced from PubChem (CID 11140268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).