5-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H10F6N4O2S — CID 2871964

IUPAC5-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12
InChIInChI=1S/C19H10F6N4O2S/c20-18(21,22)15-8-13(14-2-1-7-32-14)28-16-12(9-26-29(15)16)17(30)27-10-3-5-11(6-4-10)31-19(23,24)25/h1-9H,(H,27,30)
InChIKeyOBDBUWWTAIPCNM-UHFFFAOYSA-N
MW472.37 g/mol
LogP5.63
Rot. Bonds4

About 5-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2871964) has the molecular formula C19H10F6N4O2S and a molecular weight of 472.37 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2871964
Molecular FormulaC19H10F6N4O2S
Molecular Weight472.37 g/mol
Exact Mass472.04
IUPAC Name5-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12
InChIInChI=1S/C19H10F6N4O2S/c20-18(21,22)15-8-13(14-2-1-7-32-14)28-16-12(9-26-29(15)16)17(30)27-10-3-5-11(6-4-10)31-19(23,24)25/h1-9H,(H,27,30)
InChIKeyOBDBUWWTAIPCNM-UHFFFAOYSA-N
XLogP5.63
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.37
LogP ≤ 55.63
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-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2871964) is 5-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12.
What is the InChIKey of 5-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OBDBUWWTAIPCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F6N4O2S/c20-18(21,22)15-8-13(14-2-1-7-32-14)28-16-12(9-26-29(15)16)17(30)27-10-3-5-11(6-4-10)31-19(23,24)25/h1-9H,(H,27,30).
What are the key properties of 5-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 472.37 g/mol, XLogP of 5.63, 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-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2871964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).