7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C25H19N3O3 — CID 137297212

IUPAC7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCOc1ccc(-c2c(O)n3nc(-c4ccccc4)c(-c4ccccc4)c3[nH]c2=O)cc1
InChIInChI=1S/C25H19N3O3/c1-31-19-14-12-17(13-15-19)21-24(29)26-23-20(16-8-4-2-5-9-16)22(27-28(23)25(21)30)18-10-6-3-7-11-18/h2-15,30H,1H3,(H,26,29)
InChIKeyQXGUGPRLFQDJKL-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.74
Rot. Bonds4

About 7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137297212) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137297212
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCOc1ccc(-c2c(O)n3nc(-c4ccccc4)c(-c4ccccc4)c3[nH]c2=O)cc1
InChIInChI=1S/C25H19N3O3/c1-31-19-14-12-17(13-15-19)21-24(29)26-23-20(16-8-4-2-5-9-16)22(27-28(23)25(21)30)18-10-6-3-7-11-18/h2-15,30H,1H3,(H,26,29)
InChIKeyQXGUGPRLFQDJKL-UHFFFAOYSA-N
XLogP4.74
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137297212) is 7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is COc1ccc(-c2c(O)n3nc(-c4ccccc4)c(-c4ccccc4)c3[nH]c2=O)cc1.
What is the InChIKey of 7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is QXGUGPRLFQDJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c1-31-19-14-12-17(13-15-19)21-24(29)26-23-20(16-8-4-2-5-9-16)22(27-28(23)25(21)30)18-10-6-3-7-11-18/h2-15,30H,1H3,(H,26,29).
What are the key properties of 7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 409.45 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137297212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).