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

C11H6F3N3S — CID 4767367

IUPAC5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2cccs2)nc2ccnn12
InChIInChI=1S/C11H6F3N3S/c12-11(13,14)9-6-7(8-2-1-5-18-8)16-10-3-4-15-17(9)10/h1-6H
InChIKeyQWIWJHRBQSIHCR-UHFFFAOYSA-N
MW269.25 g/mol
LogP3.48
Rot. Bonds1

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

5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 4767367) has the molecular formula C11H6F3N3S and a molecular weight of 269.25 g/mol. Its IUPAC name is 5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID4767367
Molecular FormulaC11H6F3N3S
Molecular Weight269.25 g/mol
Exact Mass269.02
IUPAC Name5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2cccs2)nc2ccnn12
InChIInChI=1S/C11H6F3N3S/c12-11(13,14)9-6-7(8-2-1-5-18-8)16-10-3-4-15-17(9)10/h1-6H
InChIKeyQWIWJHRBQSIHCR-UHFFFAOYSA-N
XLogP3.48
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 4767367) is 5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2cccs2)nc2ccnn12.
What is the InChIKey of 5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is QWIWJHRBQSIHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3S/c12-11(13,14)9-6-7(8-2-1-5-18-8)16-10-3-4-15-17(9)10/h1-6H.
What are the key properties of 5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 269.25 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4767367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).