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

C17H11F3N4O2S — CID 645236

IUPACN-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccco1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12
InChIInChI=1S/C17H11F3N4O2S/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)
InChIKeyYZMQIVNKDMOERB-UHFFFAOYSA-N
MW392.36 g/mol
LogP4.00
Rot. Bonds4

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

N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 645236) has the molecular formula C17H11F3N4O2S and a molecular weight of 392.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID645236
Molecular FormulaC17H11F3N4O2S
Molecular Weight392.36 g/mol
Exact Mass392.06
IUPAC NameN-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccco1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12
InChIInChI=1S/C17H11F3N4O2S/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)
InChIKeyYZMQIVNKDMOERB-UHFFFAOYSA-N
XLogP4.00
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 645236) is N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1ccco1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12.
What is the InChIKey of N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YZMQIVNKDMOERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2S/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 N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 392.36 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 645236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).