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

C15H19F2N3O — CID 20677309

IUPAC6-[5-(1,1-difluoroethyl)-1-ethylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one
SMILESCCn1nc(-c2c(C)cc(C)c(=O)n2C)cc1C(C)(F)F
InChIInChI=1S/C15H19F2N3O/c1-6-20-12(15(4,16)17)8-11(18-20)13-9(2)7-10(3)14(21)19(13)5/h7-8H,6H2,1-5H3
InChIKeyDUYCREXVAKUSPP-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.00
Rot. Bonds3

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

6-[5-(1,1-difluoroethyl)-1-ethylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one (PubChem CID 20677309) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 6-[5-(1,1-difluoroethyl)-1-ethylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one.

Molecular Properties

Compound Name6-[5-(1,1-difluoroethyl)-1-ethylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one
PubChem CID20677309
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name6-[5-(1,1-difluoroethyl)-1-ethylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one
SMILESCCn1nc(-c2c(C)cc(C)c(=O)n2C)cc1C(C)(F)F
InChIInChI=1S/C15H19F2N3O/c1-6-20-12(15(4,16)17)8-11(18-20)13-9(2)7-10(3)14(21)19(13)5/h7-8H,6H2,1-5H3
InChIKeyDUYCREXVAKUSPP-UHFFFAOYSA-N
XLogP3.00
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.00
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-ethylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one?
The IUPAC name of 6-[5-(1,1-difluoroethyl)-1-ethylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one (CID 20677309) is 6-[5-(1,1-difluoroethyl)-1-ethylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one.
What is the SMILES notation for 6-[5-(1,1-difluoroethyl)-1-ethylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one?
The canonical SMILES for 6-[5-(1,1-difluoroethyl)-1-ethylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one is CCn1nc(-c2c(C)cc(C)c(=O)n2C)cc1C(C)(F)F.
What is the InChIKey of 6-[5-(1,1-difluoroethyl)-1-ethylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one?
The InChIKey is DUYCREXVAKUSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-6-20-12(15(4,16)17)8-11(18-20)13-9(2)7-10(3)14(21)19(13)5/h7-8H,6H2,1-5H3.
What are the key properties of 6-[5-(1,1-difluoroethyl)-1-ethylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one?
6-[5-(1,1-difluoroethyl)-1-ethylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one has a molecular weight of 295.33 g/mol, XLogP of 3.00, 3 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-ethylpyrazol-3-yl]-1,3,5-trimethylpyridin-2-one is sourced from PubChem (CID 20677309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).