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

C17H10F3N3S — CID 737221

IUPAC2-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2cccs2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C17H10F3N3S/c18-17(19,20)15-9-13(14-7-4-8-24-14)21-16-10-12(22-23(15)16)11-5-2-1-3-6-11/h1-10H
InChIKeyZWWJRZXOLCOVLO-UHFFFAOYSA-N
MW345.35 g/mol
LogP5.14
Rot. Bonds2

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

2-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 737221) has the molecular formula C17H10F3N3S and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID737221
Molecular FormulaC17H10F3N3S
Molecular Weight345.35 g/mol
Exact Mass345.05
IUPAC Name2-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2cccs2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C17H10F3N3S/c18-17(19,20)15-9-13(14-7-4-8-24-14)21-16-10-12(22-23(15)16)11-5-2-1-3-6-11/h1-10H
InChIKeyZWWJRZXOLCOVLO-UHFFFAOYSA-N
XLogP5.14
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.35
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 737221) is 2-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2cccs2)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of 2-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is ZWWJRZXOLCOVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3S/c18-17(19,20)15-9-13(14-7-4-8-24-14)21-16-10-12(22-23(15)16)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 2-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 345.35 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 737221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).