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

C20H15F3N4OS — CID 4286749

IUPACN-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12)c1ccccc1
InChIInChI=1S/C20H15F3N4OS/c1-12(13-6-3-2-4-7-13)25-19(28)14-11-24-27-17(20(21,22)23)10-15(26-18(14)27)16-8-5-9-29-16/h2-12H,1H3,(H,25,28)
InChIKeyBSSAJMGOBFWEEW-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.97
Rot. Bonds4

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

N-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4286749) has the molecular formula C20H15F3N4OS and a molecular weight of 416.43 g/mol. Its IUPAC name is N-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4286749
Molecular FormulaC20H15F3N4OS
Molecular Weight416.43 g/mol
Exact Mass416.09
IUPAC NameN-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12)c1ccccc1
InChIInChI=1S/C20H15F3N4OS/c1-12(13-6-3-2-4-7-13)25-19(28)14-11-24-27-17(20(21,22)23)10-15(26-18(14)27)16-8-5-9-29-16/h2-12H,1H3,(H,25,28)
InChIKeyBSSAJMGOBFWEEW-UHFFFAOYSA-N
XLogP4.97
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4286749) is N-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BSSAJMGOBFWEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4OS/c1-12(13-6-3-2-4-7-13)25-19(28)14-11-24-27-17(20(21,22)23)10-15(26-18(14)27)16-8-5-9-29-16/h2-12H,1H3,(H,25,28).
What are the key properties of N-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 416.43 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4286749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).