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

C24H17N3O3 — CID 137296413

IUPAC7-hydroxy-6-(4-hydroxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(O)c1-c1ccc(O)cc1
InChIInChI=1S/C24H17N3O3/c28-18-13-11-16(12-14-18)20-23(29)25-22-19(15-7-3-1-4-8-15)21(26-27(22)24(20)30)17-9-5-2-6-10-17/h1-14,28,30H,(H,25,29)
InChIKeyMYXNAIPXFBFBHQ-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.43
Rot. Bonds3

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

7-hydroxy-6-(4-hydroxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137296413) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 7-hydroxy-6-(4-hydroxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-(4-hydroxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137296413
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC Name7-hydroxy-6-(4-hydroxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(O)c1-c1ccc(O)cc1
InChIInChI=1S/C24H17N3O3/c28-18-13-11-16(12-14-18)20-23(29)25-22-19(15-7-3-1-4-8-15)21(26-27(22)24(20)30)17-9-5-2-6-10-17/h1-14,28,30H,(H,25,29)
InChIKeyMYXNAIPXFBFBHQ-UHFFFAOYSA-N
XLogP4.43
TPSA90.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-(4-hydroxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-6-(4-hydroxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137296413) is 7-hydroxy-6-(4-hydroxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-6-(4-hydroxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-6-(4-hydroxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(O)c1-c1ccc(O)cc1.
What is the InChIKey of 7-hydroxy-6-(4-hydroxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is MYXNAIPXFBFBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-18-13-11-16(12-14-18)20-23(29)25-22-19(15-7-3-1-4-8-15)21(26-27(22)24(20)30)17-9-5-2-6-10-17/h1-14,28,30H,(H,25,29).
What are the key properties of 7-hydroxy-6-(4-hydroxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-hydroxy-6-(4-hydroxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 395.42 g/mol, XLogP of 4.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-(4-hydroxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137296413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).