5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

C16H8ClF4N5O — CID 19326289

IUPAC5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1cc(C(F)(F)F)n2nc(-c3nc(-c4ccc(F)cc4)no3)c(Cl)c2n1
InChIInChI=1S/C16H8ClF4N5O/c1-7-6-10(16(19,20)21)26-14(22-7)11(17)12(24-26)15-23-13(25-27-15)8-2-4-9(18)5-3-8/h2-6H,1H3
InChIKeyJBNGIAZYACTRFF-UHFFFAOYSA-N
MW397.72 g/mol
LogP4.57
Rot. Bonds2

About 5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 19326289) has the molecular formula C16H8ClF4N5O and a molecular weight of 397.72 g/mol. Its IUPAC name is 5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID19326289
Molecular FormulaC16H8ClF4N5O
Molecular Weight397.72 g/mol
Exact Mass397.04
IUPAC Name5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1cc(C(F)(F)F)n2nc(-c3nc(-c4ccc(F)cc4)no3)c(Cl)c2n1
InChIInChI=1S/C16H8ClF4N5O/c1-7-6-10(16(19,20)21)26-14(22-7)11(17)12(24-26)15-23-13(25-27-15)8-2-4-9(18)5-3-8/h2-6H,1H3
InChIKeyJBNGIAZYACTRFF-UHFFFAOYSA-N
XLogP4.57
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.72
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 19328283
2-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 19550711
3-(4-fluorophenyl)-5-(5-methyl-2H-triazol-4-yl)-1,2,4-oxadiazole
CID 19326362
3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 19324649
3-chloro-7-[chloro(difluoro)methyl]-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4774269
5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 67886994
5-[1-[(6-chloro-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole;fluoromethane;molecular fluorine
CID 143992792
3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2768079
5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326239
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
3-(3-chloro-2-methylphenyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 18591826
4-chloro-2-(4-fluorophenyl)-6-methylpyrimidine
CID 23362081

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 19326289) is 5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is Cc1cc(C(F)(F)F)n2nc(-c3nc(-c4ccc(F)cc4)no3)c(Cl)c2n1.
What is the InChIKey of 5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is JBNGIAZYACTRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF4N5O/c1-7-6-10(16(19,20)21)26-14(22-7)11(17)12(24-26)15-23-13(25-27-15)8-2-4-9(18)5-3-8/h2-6H,1H3.
What are the key properties of 5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 397.72 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19326289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).