6-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one

C14H17F2N3O — CID 20677313

IUPAC6-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one
SMILESCc1cc(C)c(=O)n(C)c1-c1cc(C(C)(F)F)n(C)n1
InChIInChI=1S/C14H17F2N3O/c1-8-6-9(2)13(20)18(4)12(8)10-7-11(14(3,15)16)19(5)17-10/h6-7H,1-5H3
InChIKeyICCDYSODFOQKTB-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.51
Rot. Bonds2

About 6-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one

6-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one (PubChem CID 20677313) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one.

Molecular Properties

Compound Name6-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one
PubChem CID20677313
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name6-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one
SMILESCc1cc(C)c(=O)n(C)c1-c1cc(C(C)(F)F)n(C)n1
InChIInChI=1S/C14H17F2N3O/c1-8-6-9(2)13(20)18(4)12(8)10-7-11(14(3,15)16)19(5)17-10/h6-7H,1-5H3
InChIKeyICCDYSODFOQKTB-UHFFFAOYSA-N
XLogP2.51
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one?
The IUPAC name of 6-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one (CID 20677313) is 6-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one.
What is the SMILES notation for 6-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one?
The canonical SMILES for 6-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one is Cc1cc(C)c(=O)n(C)c1-c1cc(C(C)(F)F)n(C)n1.
What is the InChIKey of 6-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one?
The InChIKey is ICCDYSODFOQKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-8-6-9(2)13(20)18(4)12(8)10-7-11(14(3,15)16)19(5)17-10/h6-7H,1-5H3.
What are the key properties of 6-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one?
6-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one has a molecular weight of 281.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one is sourced from PubChem (CID 20677313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).