4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

C11H11F3N4O2 — CID 136771654

IUPAC4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2cc(=O)[nH]c(COCC(F)(F)F)n2)cn1
InChIInChI=1S/C11H11F3N4O2/c1-18-4-7(3-15-18)8-2-10(19)17-9(16-8)5-20-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,16,17,19)
InChIKeyDLPLPCOGZPUBEP-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.25
Rot. Bonds4

About 4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136771654) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
PubChem CID136771654
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2cc(=O)[nH]c(COCC(F)(F)F)n2)cn1
InChIInChI=1S/C11H11F3N4O2/c1-18-4-7(3-15-18)8-2-10(19)17-9(16-8)5-20-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,16,17,19)
InChIKeyDLPLPCOGZPUBEP-UHFFFAOYSA-N
XLogP1.25
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (4Z,6E)-8-fluoro-3-methylidene-2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrazol-1-yl]-6-(trifluoromethyl)octa-4,6-dienoate
CID 137026675
2-(1,1-difluoropropyl)-3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one
CID 144318119
4-[1-[1-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 166701367
6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515833
6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515903
6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515969
2-[2-(2,2-difluoroethoxy)ethyl]-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106716292
6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106716308
6-(1-methylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106716390
4-(1-methylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136771694
4-(1-methylpyrazol-4-yl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136771815
2-[2-(2,2-difluoroethoxy)ethyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771823

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (CID 136771654) is 4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is Cn1cc(-c2cc(=O)[nH]c(COCC(F)(F)F)n2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is DLPLPCOGZPUBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c1-18-4-7(3-15-18)8-2-10(19)17-9(16-8)5-20-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,16,17,19).
What are the key properties of 4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 288.23 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136771654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).