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

C17H9ClF3N3S — CID 162653520

IUPAC5-(3-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2cccc(Cl)c2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C17H9ClF3N3S/c18-11-4-1-3-10(7-11)12-8-15(17(19,20)21)24-16(22-12)9-13(23-24)14-5-2-6-25-14/h1-9H
InChIKeyCMJIOVWHLQLHQE-UHFFFAOYSA-N
MW379.79 g/mol
LogP5.80
Rot. Bonds2

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

5-(3-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162653520) has the molecular formula C17H9ClF3N3S and a molecular weight of 379.79 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID162653520
Molecular FormulaC17H9ClF3N3S
Molecular Weight379.79 g/mol
Exact Mass379.02
IUPAC Name5-(3-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2cccc(Cl)c2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C17H9ClF3N3S/c18-11-4-1-3-10(7-11)12-8-15(17(19,20)21)24-16(22-12)9-13(23-24)14-5-2-6-25-14/h1-9H
InChIKeyCMJIOVWHLQLHQE-UHFFFAOYSA-N
XLogP5.80
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.79
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(3-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 162653520) is 5-(3-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(3-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(3-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2cccc(Cl)c2)nc2cc(-c3cccs3)nn12.
What is the InChIKey of 5-(3-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is CMJIOVWHLQLHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3N3S/c18-11-4-1-3-10(7-11)12-8-15(17(19,20)21)24-16(22-12)9-13(23-24)14-5-2-6-25-14/h1-9H.
What are the key properties of 5-(3-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(3-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 379.79 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162653520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).