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

C18H13N3O — CID 134307194

IUPAC2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1ccnc2c(-c3ccccc3)c(-c3ccccc3)[nH]n12
InChIInChI=1S/C18H13N3O/c22-15-11-12-19-18-16(13-7-3-1-4-8-13)17(20-21(15)18)14-9-5-2-6-10-14/h1-12,20H
InChIKeyRJZCZETXTGBVEV-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.36
Rot. Bonds2

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

2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307194) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134307194
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1ccnc2c(-c3ccccc3)c(-c3ccccc3)[nH]n12
InChIInChI=1S/C18H13N3O/c22-15-11-12-19-18-16(13-7-3-1-4-8-13)17(20-21(15)18)14-9-5-2-6-10-14/h1-12,20H
InChIKeyRJZCZETXTGBVEV-UHFFFAOYSA-N
XLogP3.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 67787403
5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140798
2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140796
5-(chloromethyl)-2-(4-chlorophenyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66974884
3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 164622252
5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 156823924
ethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate
CID 2242396
2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123610819
2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973660
2-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetonitrile
CID 134307723
2-(4-chlorophenyl)-3-phenyl-5-(trifluoromethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 67095677
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307447

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307194) is 2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1ccnc2c(-c3ccccc3)c(-c3ccccc3)[nH]n12.
What is the InChIKey of 2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RJZCZETXTGBVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-15-11-12-19-18-16(13-7-3-1-4-8-13)17(20-21(15)18)14-9-5-2-6-10-14/h1-12,20H.
What are the key properties of 2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 287.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).