5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C25H19N3O2 — CID 171140798

IUPAC5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COc2ccccc2)nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n12
InChIInChI=1S/C25H19N3O2/c29-22-16-20(17-30-21-14-8-3-9-15-21)26-25-23(18-10-4-1-5-11-18)24(27-28(22)25)19-12-6-2-7-13-19/h1-16,27H,17H2
InChIKeyWEVZOKIPTQEPHI-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.94
Rot. Bonds5

About 5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 171140798) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID171140798
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COc2ccccc2)nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n12
InChIInChI=1S/C25H19N3O2/c29-22-16-20(17-30-21-14-8-3-9-15-21)26-25-23(18-10-4-1-5-11-18)24(27-28(22)25)19-12-6-2-7-13-19/h1-16,27H,17H2
InChIKeyWEVZOKIPTQEPHI-UHFFFAOYSA-N
XLogP4.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 171140798) is 5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(COc2ccccc2)nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n12.
What is the InChIKey of 5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WEVZOKIPTQEPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c29-22-16-20(17-30-21-14-8-3-9-15-21)26-25-23(18-10-4-1-5-11-18)24(27-28(22)25)19-12-6-2-7-13-19/h1-16,27H,17H2.
What are the key properties of 5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 393.45 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 171140798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).