5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C15H12N4OS — CID 11243411

IUPAC5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1csc(CNc2cc(-c3ccoc3)nc3ccnn23)c1
InChIInChI=1S/C15H12N4OS/c1-2-12(21-7-1)9-16-15-8-13(11-4-6-20-10-11)18-14-3-5-17-19(14)15/h1-8,10,16H,9H2
InChIKeyASJBHIUKQDJKMK-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.66
Rot. Bonds4

About 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11243411) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11243411
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1csc(CNc2cc(-c3ccoc3)nc3ccnn23)c1
InChIInChI=1S/C15H12N4OS/c1-2-12(21-7-1)9-16-15-8-13(11-4-6-20-10-11)18-14-3-5-17-19(14)15/h1-8,10,16H,9H2
InChIKeyASJBHIUKQDJKMK-UHFFFAOYSA-N
XLogP3.66
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 11243411) is 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is c1csc(CNc2cc(-c3ccoc3)nc3ccnn23)c1.
What is the InChIKey of 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ASJBHIUKQDJKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-2-12(21-7-1)9-16-15-8-13(11-4-6-20-10-11)18-14-3-5-17-19(14)15/h1-8,10,16H,9H2.
What are the key properties of 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 296.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11243411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).