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

C14H8F3N5OS — CID 19582974

IUPAC2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1cc(C(F)(F)F)n2nc(-c3nnc(-c4cccs4)o3)cc2n1
InChIInChI=1S/C14H8F3N5OS/c1-7-5-10(14(15,16)17)22-11(18-7)6-8(21-22)12-19-20-13(23-12)9-3-2-4-24-9/h2-6H,1H3
InChIKeyOQMMCYKWUVVSFH-UHFFFAOYSA-N
MW351.31 g/mol
LogP3.84
Rot. Bonds2

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

2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 19582974) has the molecular formula C14H8F3N5OS and a molecular weight of 351.31 g/mol. Its IUPAC name is 2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID19582974
Molecular FormulaC14H8F3N5OS
Molecular Weight351.31 g/mol
Exact Mass351.04
IUPAC Name2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1cc(C(F)(F)F)n2nc(-c3nnc(-c4cccs4)o3)cc2n1
InChIInChI=1S/C14H8F3N5OS/c1-7-5-10(14(15,16)17)22-11(18-7)6-8(21-22)12-19-20-13(23-12)9-3-2-4-24-9/h2-6H,1H3
InChIKeyOQMMCYKWUVVSFH-UHFFFAOYSA-N
XLogP3.84
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 19582974) is 2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is Cc1cc(C(F)(F)F)n2nc(-c3nnc(-c4cccs4)o3)cc2n1.
What is the InChIKey of 2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is OQMMCYKWUVVSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N5OS/c1-7-5-10(14(15,16)17)22-11(18-7)6-8(21-22)12-19-20-13(23-12)9-3-2-4-24-9/h2-6H,1H3.
What are the key properties of 2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 351.31 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 19582974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).