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

C15H8F3N5O2S — CID 4770020

IUPAC5-(furan-2-yl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1nccs1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C15H8F3N5O2S/c16-15(17,18)11-6-9(10-2-1-4-25-10)21-12-8(7-20-23(11)12)13(24)22-14-19-3-5-26-14/h1-7H,(H,19,22,24)
InChIKeyAXSKKVIJKQIWAU-UHFFFAOYSA-N
MW379.32 g/mol
LogP3.72
Rot. Bonds3

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

5-(furan-2-yl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4770020) has the molecular formula C15H8F3N5O2S and a molecular weight of 379.32 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4770020
Molecular FormulaC15H8F3N5O2S
Molecular Weight379.32 g/mol
Exact Mass379.04
IUPAC Name5-(furan-2-yl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1nccs1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C15H8F3N5O2S/c16-15(17,18)11-6-9(10-2-1-4-25-10)21-12-8(7-20-23(11)12)13(24)22-14-19-3-5-26-14/h1-7H,(H,19,22,24)
InChIKeyAXSKKVIJKQIWAU-UHFFFAOYSA-N
XLogP3.72
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4770020) is 5-(furan-2-yl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1nccs1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12.
What is the InChIKey of 5-(furan-2-yl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AXSKKVIJKQIWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N5O2S/c16-15(17,18)11-6-9(10-2-1-4-25-10)21-12-8(7-20-23(11)12)13(24)22-14-19-3-5-26-14/h1-7H,(H,19,22,24).
What are the key properties of 5-(furan-2-yl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(furan-2-yl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 379.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4770020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).