3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C17H6Cl4F3N3O — CID 2768079

IUPAC3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)o2)nc2c(Cl)c(-c3ccc(Cl)c(Cl)c3)nn12
InChIInChI=1S/C17H6Cl4F3N3O/c18-8-2-1-7(5-9(8)19)15-14(21)16-25-10(11-3-4-13(20)28-11)6-12(17(22,23)24)27(16)26-15/h1-6H
InChIKeyHLUAPPXDPMBSKH-UHFFFAOYSA-N
MW467.06 g/mol
LogP7.29
Rot. Bonds2

About 3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2768079) has the molecular formula C17H6Cl4F3N3O and a molecular weight of 467.06 g/mol. Its IUPAC name is 3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2768079
Molecular FormulaC17H6Cl4F3N3O
Molecular Weight467.06 g/mol
Exact Mass464.92
IUPAC Name3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)o2)nc2c(Cl)c(-c3ccc(Cl)c(Cl)c3)nn12
InChIInChI=1S/C17H6Cl4F3N3O/c18-8-2-1-7(5-9(8)19)15-14(21)16-25-10(11-3-4-13(20)28-11)6-12(17(22,23)24)27(16)26-15/h1-6H
InChIKeyHLUAPPXDPMBSKH-UHFFFAOYSA-N
XLogP7.29
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.06
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2768079) is 3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2ccc(Cl)o2)nc2c(Cl)c(-c3ccc(Cl)c(Cl)c3)nn12.
What is the InChIKey of 3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is HLUAPPXDPMBSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H6Cl4F3N3O/c18-8-2-1-7(5-9(8)19)15-14(21)16-25-10(11-3-4-13(20)28-11)6-12(17(22,23)24)27(16)26-15/h1-6H.
What are the key properties of 3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 467.06 g/mol, XLogP of 7.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2768079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).