1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone

C22H17F5N4O2 — CID 159210139

IUPAC1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone
SMILESCC1(C)CC(c2cc(C(F)(F)F)n(-c3ccc(CC(=O)c4c(F)cccc4F)cn3)n2)=NO1
InChIInChI=1S/C22H17F5N4O2/c1-21(2)10-16(30-33-21)15-9-18(22(25,26)27)31(29-15)19-7-6-12(11-28-19)8-17(32)20-13(23)4-3-5-14(20)24/h3-7,9,11H,8,10H2,1-2H3
InChIKeyIQCZTUWEUIXAJZ-UHFFFAOYSA-N
MW464.39 g/mol
LogP4.89
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone

1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone (PubChem CID 159210139) has the molecular formula C22H17F5N4O2 and a molecular weight of 464.39 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone
PubChem CID159210139
Molecular FormulaC22H17F5N4O2
Molecular Weight464.39 g/mol
Exact Mass464.13
IUPAC Name1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone
SMILESCC1(C)CC(c2cc(C(F)(F)F)n(-c3ccc(CC(=O)c4c(F)cccc4F)cn3)n2)=NO1
InChIInChI=1S/C22H17F5N4O2/c1-21(2)10-16(30-33-21)15-9-18(22(25,26)27)31(29-15)19-7-6-12(11-28-19)8-17(32)20-13(23)4-3-5-14(20)24/h3-7,9,11H,8,10H2,1-2H3
InChIKeyIQCZTUWEUIXAJZ-UHFFFAOYSA-N
XLogP4.89
TPSA69.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 71580121
5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 71580122
5-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide
CID 71580229
4-[5-(4-Fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide
CID 45267753
[(E)-1-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethylideneamino] benzoate
CID 9583554
4-(4-fluorophenyl)-N-{1-[5-methyl-1-(2-pyridinyl)-1H-pyrazol-4-yl]ethyl}-4-oxobutanamide
CID 45167783
N-(4-acetylphenyl)-2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]acetamide
CID 45904945
4-[[2-[3,5-Dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]acetyl]amino]benzamide
CID 45904974
2-(4-Fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one
CID 18346853
[5-Methyl-2-[3-(trifluoromethyl)-1h-pyrazol-1-yl]-4-pyrimidinyl][3-(trifluoromethyl)phenyl]methanone
CID 18628526
1-[3-(2-Fluoro-4-methylphenyl)-5-[5-(6-pyrazol-1-yl-2-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-3-methylbutan-1-one
CID 58096049
1-(4-Fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone
CID 58138676

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone (CID 159210139) is 1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone is CC1(C)CC(c2cc(C(F)(F)F)n(-c3ccc(CC(=O)c4c(F)cccc4F)cn3)n2)=NO1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone?
The InChIKey is IQCZTUWEUIXAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F5N4O2/c1-21(2)10-16(30-33-21)15-9-18(22(25,26)27)31(29-15)19-7-6-12(11-28-19)8-17(32)20-13(23)4-3-5-14(20)24/h3-7,9,11H,8,10H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone?
1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone has a molecular weight of 464.39 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 159210139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).