1-(difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one

C11H11F2N3O — CID 90247453

IUPAC1-(difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one
SMILESCCc1ccn(-c2ccc(=O)n(C(F)F)c2)n1
InChIInChI=1S/C11H11F2N3O/c1-2-8-5-6-16(14-8)9-3-4-10(17)15(7-9)11(12)13/h3-7,11H,2H2,1H3
InChIKeySXCPFJWKXFQDSV-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.99
Rot. Bonds3

About 1-(difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one

1-(difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one (PubChem CID 90247453) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one
PubChem CID90247453
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-(difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one
SMILESCCc1ccn(-c2ccc(=O)n(C(F)F)c2)n1
InChIInChI=1S/C11H11F2N3O/c1-2-8-5-6-16(14-8)9-3-4-10(17)15(7-9)11(12)13/h3-7,11H,2H2,1H3
InChIKeySXCPFJWKXFQDSV-UHFFFAOYSA-N
XLogP1.99
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
CID 162651648
7-((2S,5R)-4-(1-(1-(2,2-difluoroethyl)-1H-pyrazol-5-yl)ethyl)-2,5-diethylpiperazin-1-yl)-4-methyl-2,4-dihydro-5H-pyrazolo[4,3-b]pyridin-5-one
CID 172637045
2-[(1-Propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 99819149
3,3,3-trifluoro-1-(3-(1-methyl-1H-pyrazol-3-yl)piperidin-1-yl)propan-1-one
CID 121021048
1-[4-[3-(Trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 132345337
1-(Difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one
CID 90247301
1-(Difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine
CID 118520433
1-(Difluoromethyl)-5-(3-propan-2-ylpyrazol-1-yl)pyridin-2-one
CID 118593114
3-Methylidene-5-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)hepta-4,6-dien-2-one
CID 123705870
1-Propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole
CID 124085035
3-Ethyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 126670977
2,2,2-Trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 130387987

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one (CID 90247453) is 1-(difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one is CCc1ccn(-c2ccc(=O)n(C(F)F)c2)n1.
What is the InChIKey of 1-(difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one?
The InChIKey is SXCPFJWKXFQDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-2-8-5-6-16(14-8)9-3-4-10(17)15(7-9)11(12)13/h3-7,11H,2H2,1H3.
What are the key properties of 1-(difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one?
1-(difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one has a molecular weight of 239.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one is sourced from PubChem (CID 90247453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).