3-naphthalen-1-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H13N3OS — CID 11759680

IUPAC3-naphthalen-1-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccsc2)cnc2c(-c3cccc4ccccc34)c[nH]n12
InChIInChI=1S/C20H13N3OS/c24-20-17(14-8-9-25-12-14)10-21-19-18(11-22-23(19)20)16-7-3-5-13-4-1-2-6-15(13)16/h1-12,22H
InChIKeyOYTPSOMPULWQSV-UHFFFAOYSA-N
MW343.41 g/mol
LogP4.57
Rot. Bonds2

About 3-naphthalen-1-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-naphthalen-1-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 11759680) has the molecular formula C20H13N3OS and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-naphthalen-1-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-naphthalen-1-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID11759680
Molecular FormulaC20H13N3OS
Molecular Weight343.41 g/mol
Exact Mass343.08
IUPAC Name3-naphthalen-1-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccsc2)cnc2c(-c3cccc4ccccc34)c[nH]n12
InChIInChI=1S/C20H13N3OS/c24-20-17(14-8-9-25-12-14)10-21-19-18(11-22-23(19)20)16-7-3-5-13-4-1-2-6-15(13)16/h1-12,22H
InChIKeyOYTPSOMPULWQSV-UHFFFAOYSA-N
XLogP4.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-naphthalen-1-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 11759680) is 3-naphthalen-1-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-naphthalen-1-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-naphthalen-1-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1c(-c2ccsc2)cnc2c(-c3cccc4ccccc34)c[nH]n12.
What is the InChIKey of 3-naphthalen-1-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OYTPSOMPULWQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3OS/c24-20-17(14-8-9-25-12-14)10-21-19-18(11-22-23(19)20)16-7-3-5-13-4-1-2-6-15(13)16/h1-12,22H.
What are the key properties of 3-naphthalen-1-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-naphthalen-1-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 343.41 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 11759680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).