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

C18H15F3N6O2 — CID 2872433

IUPAC5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C18H15F3N6O2/c19-18(20,21)15-9-13(14-3-1-8-29-14)25-16-12(10-24-27(15)16)17(28)23-4-2-6-26-7-5-22-11-26/h1,3,5,7-11H,2,4,6H2,(H,23,28)
InChIKeyXCOWKOTZQYHOAI-UHFFFAOYSA-N
MW404.35 g/mol
LogP3.02
Rot. Bonds6

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

5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2872433) has the molecular formula C18H15F3N6O2 and a molecular weight of 404.35 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2872433
Molecular FormulaC18H15F3N6O2
Molecular Weight404.35 g/mol
Exact Mass404.12
IUPAC Name5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C18H15F3N6O2/c19-18(20,21)15-9-13(14-3-1-8-29-14)25-16-12(10-24-27(15)16)17(28)23-4-2-6-26-7-5-22-11-26/h1,3,5,7-11H,2,4,6H2,(H,23,28)
InChIKeyXCOWKOTZQYHOAI-UHFFFAOYSA-N
XLogP3.02
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2872433) is 5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCCn1ccnc1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12.
What is the InChIKey of 5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XCOWKOTZQYHOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2/c19-18(20,21)15-9-13(14-3-1-8-29-14)25-16-12(10-24-27(15)16)17(28)23-4-2-6-26-7-5-22-11-26/h1,3,5,7-11H,2,4,6H2,(H,23,28).
What are the key properties of 5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 404.35 g/mol, XLogP of 3.02, 6 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-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2872433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).