2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C15H8F3N3S2 — CID 2818919

IUPAC2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2cccs2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C15H8F3N3S2/c16-15(17,18)13-7-9(11-3-1-5-22-11)19-14-8-10(20-21(13)14)12-4-2-6-23-12/h1-8H
InChIKeyPQOJHAATGCYINC-UHFFFAOYSA-N
MW351.38 g/mol
LogP5.21
Rot. Bonds2

About 2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2818919) has the molecular formula C15H8F3N3S2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2818919
Molecular FormulaC15H8F3N3S2
Molecular Weight351.38 g/mol
Exact Mass351.01
IUPAC Name2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2cccs2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C15H8F3N3S2/c16-15(17,18)13-7-9(11-3-1-5-22-11)19-14-8-10(20-21(13)14)12-4-2-6-23-12/h1-8H
InChIKeyPQOJHAATGCYINC-UHFFFAOYSA-N
XLogP5.21
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.38
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2818919) is 2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2cccs2)nc2cc(-c3cccs3)nn12.
What is the InChIKey of 2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is PQOJHAATGCYINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3S2/c16-15(17,18)13-7-9(11-3-1-5-22-11)19-14-8-10(20-21(13)14)12-4-2-6-23-12/h1-8H.
What are the key properties of 2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 351.38 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2818919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).