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

C25H19N3O2 — CID 134307806

IUPAC6-(4-hydroxyphenyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc(O)cc1
InChIInChI=1S/C25H19N3O2/c1-16-21(18-12-14-20(29)15-13-18)25(30)28-24(26-16)22(17-8-4-2-5-9-17)23(27-28)19-10-6-3-7-11-19/h2-15,27,29H,1H3
InChIKeyRZZPEMFDSQHLGY-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.04
Rot. Bonds3

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

6-(4-hydroxyphenyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307806) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134307806
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name6-(4-hydroxyphenyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc(O)cc1
InChIInChI=1S/C25H19N3O2/c1-16-21(18-12-14-20(29)15-13-18)25(30)28-24(26-16)22(17-8-4-2-5-9-17)23(27-28)19-10-6-3-7-11-19/h2-15,27,29H,1H3
InChIKeyRZZPEMFDSQHLGY-UHFFFAOYSA-N
XLogP5.04
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(4-hydroxyphenyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307806) is 6-(4-hydroxyphenyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(4-hydroxyphenyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(4-hydroxyphenyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc(O)cc1.
What is the InChIKey of 6-(4-hydroxyphenyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RZZPEMFDSQHLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-16-21(18-12-14-20(29)15-13-18)25(30)28-24(26-16)22(17-8-4-2-5-9-17)23(27-28)19-10-6-3-7-11-19/h2-15,27,29H,1H3.
What are the key properties of 6-(4-hydroxyphenyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(4-hydroxyphenyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 393.45 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).