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

C17H11F3N4OS2 — CID 1111040

IUPAC5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12
InChIInChI=1S/C17H11F3N4OS2/c18-17(19,20)14-7-12(13-4-2-6-27-13)23-15-11(9-22-24(14)15)16(25)21-8-10-3-1-5-26-10/h1-7,9H,8H2,(H,21,25)
InChIKeyMCGVKUHTELHLEZ-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.47
Rot. Bonds4

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

5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1111040) has the molecular formula C17H11F3N4OS2 and a molecular weight of 408.43 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1111040
Molecular FormulaC17H11F3N4OS2
Molecular Weight408.43 g/mol
Exact Mass408.03
IUPAC Name5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12
InChIInChI=1S/C17H11F3N4OS2/c18-17(19,20)14-7-12(13-4-2-6-27-13)23-15-11(9-22-24(14)15)16(25)21-8-10-3-1-5-26-10/h1-7,9H,8H2,(H,21,25)
InChIKeyMCGVKUHTELHLEZ-UHFFFAOYSA-N
XLogP4.47
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1111040) is 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1cccs1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12.
What is the InChIKey of 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MCGVKUHTELHLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4OS2/c18-17(19,20)14-7-12(13-4-2-6-27-13)23-15-11(9-22-24(14)15)16(25)21-8-10-3-1-5-26-10/h1-7,9H,8H2,(H,21,25).
What are the key properties of 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1111040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).