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

C16H15F3N4O2S2 — CID 110222409

IUPAC2-(1-methylsulfonylpyrrolidin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCS(=O)(=O)N1CCCC1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C16H15F3N4O2S2/c1-27(24,25)22-6-2-4-12(22)10-9-15-20-11(13-5-3-7-26-13)8-14(16(17,18)19)23(15)21-10/h3,5,7-9,12H,2,4,6H2,1H3
InChIKeyGPODNHKJMMQZSV-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.57
Rot. Bonds3

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

2-(1-methylsulfonylpyrrolidin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 110222409) has the molecular formula C16H15F3N4O2S2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 2-(1-methylsulfonylpyrrolidin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(1-methylsulfonylpyrrolidin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID110222409
Molecular FormulaC16H15F3N4O2S2
Molecular Weight416.45 g/mol
Exact Mass416.06
IUPAC Name2-(1-methylsulfonylpyrrolidin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCS(=O)(=O)N1CCCC1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C16H15F3N4O2S2/c1-27(24,25)22-6-2-4-12(22)10-9-15-20-11(13-5-3-7-26-13)8-14(16(17,18)19)23(15)21-10/h3,5,7-9,12H,2,4,6H2,1H3
InChIKeyGPODNHKJMMQZSV-UHFFFAOYSA-N
XLogP3.57
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpyrrolidin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(1-methylsulfonylpyrrolidin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 110222409) is 2-(1-methylsulfonylpyrrolidin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(1-methylsulfonylpyrrolidin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(1-methylsulfonylpyrrolidin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CS(=O)(=O)N1CCCC1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 2-(1-methylsulfonylpyrrolidin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is GPODNHKJMMQZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2S2/c1-27(24,25)22-6-2-4-12(22)10-9-15-20-11(13-5-3-7-26-13)8-14(16(17,18)19)23(15)21-10/h3,5,7-9,12H,2,4,6H2,1H3.
What are the key properties of 2-(1-methylsulfonylpyrrolidin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-(1-methylsulfonylpyrrolidin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 416.45 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpyrrolidin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110222409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).