5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C16H9F3N4S — CID 162657383

IUPAC5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2cccnc2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C16H9F3N4S/c17-16(18,19)14-7-11(10-3-1-5-20-9-10)21-15-8-12(22-23(14)15)13-4-2-6-24-13/h1-9H
InChIKeyRWLHWCLWPGYWAX-UHFFFAOYSA-N
MW346.34 g/mol
LogP4.54
Rot. Bonds2

About 5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162657383) has the molecular formula C16H9F3N4S and a molecular weight of 346.34 g/mol. Its IUPAC name is 5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID162657383
Molecular FormulaC16H9F3N4S
Molecular Weight346.34 g/mol
Exact Mass346.05
IUPAC Name5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2cccnc2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C16H9F3N4S/c17-16(18,19)14-7-11(10-3-1-5-20-9-10)21-15-8-12(22-23(14)15)13-4-2-6-24-13/h1-9H
InChIKeyRWLHWCLWPGYWAX-UHFFFAOYSA-N
XLogP4.54
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 162657383) is 5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2cccnc2)nc2cc(-c3cccs3)nn12.
What is the InChIKey of 5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RWLHWCLWPGYWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4S/c17-16(18,19)14-7-11(10-3-1-5-20-9-10)21-15-8-12(22-23(14)15)13-4-2-6-24-13/h1-9H.
What are the key properties of 5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 346.34 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162657383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).