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

C21H12F3N3O — CID 2823529

IUPAC2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc3ccccc3c2)nc2cc(-c3ccco3)nn12
InChIInChI=1S/C21H12F3N3O/c22-21(23,24)19-11-16(15-8-7-13-4-1-2-5-14(13)10-15)25-20-12-17(26-27(19)20)18-6-3-9-28-18/h1-12H
InChIKeySHKGMCDOKAJHQK-UHFFFAOYSA-N
MW379.34 g/mol
LogP5.83
Rot. Bonds2

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

2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2823529) has the molecular formula C21H12F3N3O and a molecular weight of 379.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2823529
Molecular FormulaC21H12F3N3O
Molecular Weight379.34 g/mol
Exact Mass379.09
IUPAC Name2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc3ccccc3c2)nc2cc(-c3ccco3)nn12
InChIInChI=1S/C21H12F3N3O/c22-21(23,24)19-11-16(15-8-7-13-4-1-2-5-14(13)10-15)25-20-12-17(26-27(19)20)18-6-3-9-28-18/h1-12H
InChIKeySHKGMCDOKAJHQK-UHFFFAOYSA-N
XLogP5.83
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.34
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2823529) is 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2ccc3ccccc3c2)nc2cc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is SHKGMCDOKAJHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N3O/c22-21(23,24)19-11-16(15-8-7-13-4-1-2-5-14(13)10-15)25-20-12-17(26-27(19)20)18-6-3-9-28-18/h1-12H.
What are the key properties of 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 379.34 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2823529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).