3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C13H10F3N5O — CID 175035214

IUPAC3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCc1cc(-c2cc(-c3noc(C(F)(F)F)n3)ccn2)n(C)n1
InChIInChI=1S/C13H10F3N5O/c1-7-5-10(21(2)19-7)9-6-8(3-4-17-9)11-18-12(22-20-11)13(14,15)16/h3-6H,1-2H3
InChIKeyFVQLRWJVUMPUAR-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.86
Rot. Bonds2

About 3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 175035214) has the molecular formula C13H10F3N5O and a molecular weight of 309.25 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID175035214
Molecular FormulaC13H10F3N5O
Molecular Weight309.25 g/mol
Exact Mass309.08
IUPAC Name3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCc1cc(-c2cc(-c3noc(C(F)(F)F)n3)ccn2)n(C)n1
InChIInChI=1S/C13H10F3N5O/c1-7-5-10(21(2)19-7)9-6-8(3-4-17-9)11-18-12(22-20-11)13(14,15)16/h3-6H,1-2H3
InChIKeyFVQLRWJVUMPUAR-UHFFFAOYSA-N
XLogP2.86
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 155249893
2-(2,5-dimethylpyrazol-3-yl)-4-methylpyridine
CID 139386235
3-[3-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532626
[1-butyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol
CID 155249796
3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 138680295
N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155249867
1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155249798
5-azaspiro[2.4]heptan-5-yl-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanol
CID 162620282
4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 66127157
[(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone
CID 155368385
1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
CID 138680285
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 175035214) is 3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is Cc1cc(-c2cc(-c3noc(C(F)(F)F)n3)ccn2)n(C)n1.
What is the InChIKey of 3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is FVQLRWJVUMPUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O/c1-7-5-10(21(2)19-7)9-6-8(3-4-17-9)11-18-12(22-20-11)13(14,15)16/h3-6H,1-2H3.
What are the key properties of 3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 309.25 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 175035214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).