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

C28H19N3O — CID 134364953

IUPAC6-naphthalen-2-yl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccc3ccccc3c2)cnc2c(-c3ccccc3)c(-c3ccccc3)[nH]n12
InChIInChI=1S/C28H19N3O/c32-28-24(23-16-15-19-9-7-8-14-22(19)17-23)18-29-27-25(20-10-3-1-4-11-20)26(30-31(27)28)21-12-5-2-6-13-21/h1-18,30H
InChIKeySOSKVCMYXLRLSQ-UHFFFAOYSA-N
MW413.48 g/mol
LogP6.18
Rot. Bonds3

About 6-naphthalen-2-yl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-naphthalen-2-yl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134364953) has the molecular formula C28H19N3O and a molecular weight of 413.48 g/mol. Its IUPAC name is 6-naphthalen-2-yl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-naphthalen-2-yl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134364953
Molecular FormulaC28H19N3O
Molecular Weight413.48 g/mol
Exact Mass413.15
IUPAC Name6-naphthalen-2-yl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccc3ccccc3c2)cnc2c(-c3ccccc3)c(-c3ccccc3)[nH]n12
InChIInChI=1S/C28H19N3O/c32-28-24(23-16-15-19-9-7-8-14-22(19)17-23)18-29-27-25(20-10-3-1-4-11-20)26(30-31(27)28)21-12-5-2-6-13-21/h1-18,30H
InChIKeySOSKVCMYXLRLSQ-UHFFFAOYSA-N
XLogP6.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-naphthalen-2-yl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134364953) is 6-naphthalen-2-yl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-naphthalen-2-yl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-naphthalen-2-yl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1c(-c2ccc3ccccc3c2)cnc2c(-c3ccccc3)c(-c3ccccc3)[nH]n12.
What is the InChIKey of 6-naphthalen-2-yl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SOSKVCMYXLRLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O/c32-28-24(23-16-15-19-9-7-8-14-22(19)17-23)18-29-27-25(20-10-3-1-4-11-20)26(30-31(27)28)21-12-5-2-6-13-21/h1-18,30H.
What are the key properties of 6-naphthalen-2-yl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-naphthalen-2-yl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 413.48 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134364953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).