3-(1-benzofuran-2-yl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine

C20H14N4O — CID 59662320

IUPAC3-(1-benzofuran-2-yl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(Nc2ccn3ncc(-c4cc5ccccc5o4)c3n2)cc1
InChIInChI=1S/C20H14N4O/c1-2-7-15(8-3-1)22-19-10-11-24-20(23-19)16(13-21-24)18-12-14-6-4-5-9-17(14)25-18/h1-13H,(H,22,23)
InChIKeyIFCQHESOIJHCLB-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.89
Rot. Bonds3

About 3-(1-benzofuran-2-yl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine

3-(1-benzofuran-2-yl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 59662320) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID59662320
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name3-(1-benzofuran-2-yl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(Nc2ccn3ncc(-c4cc5ccccc5o4)c3n2)cc1
InChIInChI=1S/C20H14N4O/c1-2-7-15(8-3-1)22-19-10-11-24-20(23-19)16(13-21-24)18-12-14-6-4-5-9-17(14)25-18/h1-13H,(H,22,23)
InChIKeyIFCQHESOIJHCLB-UHFFFAOYSA-N
XLogP4.89
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine (CID 59662320) is 3-(1-benzofuran-2-yl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine is c1ccc(Nc2ccn3ncc(-c4cc5ccccc5o4)c3n2)cc1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is IFCQHESOIJHCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c1-2-7-15(8-3-1)22-19-10-11-24-20(23-19)16(13-21-24)18-12-14-6-4-5-9-17(14)25-18/h1-13H,(H,22,23).
What are the key properties of 3-(1-benzofuran-2-yl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
3-(1-benzofuran-2-yl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 326.36 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 59662320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).