2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H15N3OS — CID 171140796

IUPAC2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccsc2)nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n12
InChIInChI=1S/C22H15N3OS/c26-19-13-18(17-11-12-27-14-17)23-22-20(15-7-3-1-4-8-15)21(24-25(19)22)16-9-5-2-6-10-16/h1-14,24H
InChIKeyYZOYCUCBEURHLA-UHFFFAOYSA-N
MW369.45 g/mol
LogP5.09
Rot. Bonds3

About 2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 171140796) has the molecular formula C22H15N3OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID171140796
Molecular FormulaC22H15N3OS
Molecular Weight369.45 g/mol
Exact Mass369.09
IUPAC Name2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccsc2)nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n12
InChIInChI=1S/C22H15N3OS/c26-19-13-18(17-11-12-27-14-17)23-22-20(15-7-3-1-4-8-15)21(24-25(19)22)16-9-5-2-6-10-16/h1-14,24H
InChIKeyYZOYCUCBEURHLA-UHFFFAOYSA-N
XLogP5.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 171140796) is 2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccsc2)nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n12.
What is the InChIKey of 2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YZOYCUCBEURHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3OS/c26-19-13-18(17-11-12-27-14-17)23-22-20(15-7-3-1-4-8-15)21(24-25(19)22)16-9-5-2-6-10-16/h1-14,24H.
What are the key properties of 2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 369.45 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 171140796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).