5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H17N3O3 — CID 172657028

IUPAC5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C1OCCC1CCc1cc(=O)n2[nH]cc(-c3ccccc3)c2n1
InChIInChI=1S/C18H17N3O3/c22-16-10-14(7-6-13-8-9-24-18(13)23)20-17-15(11-19-21(16)17)12-4-2-1-3-5-12/h1-5,10-11,13,19H,6-9H2
InChIKeyFKHCNJATLJFEKN-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.19
Rot. Bonds4

About 5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 172657028) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID172657028
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C1OCCC1CCc1cc(=O)n2[nH]cc(-c3ccccc3)c2n1
InChIInChI=1S/C18H17N3O3/c22-16-10-14(7-6-13-8-9-24-18(13)23)20-17-15(11-19-21(16)17)12-4-2-1-3-5-12/h1-5,10-11,13,19H,6-9H2
InChIKeyFKHCNJATLJFEKN-UHFFFAOYSA-N
XLogP2.19
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 172657028) is 5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=C1OCCC1CCc1cc(=O)n2[nH]cc(-c3ccccc3)c2n1.
What is the InChIKey of 5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FKHCNJATLJFEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-16-10-14(7-6-13-8-9-24-18(13)23)20-17-15(11-19-21(16)17)12-4-2-1-3-5-12/h1-5,10-11,13,19H,6-9H2.
What are the key properties of 5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 323.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-oxooxolan-3-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 172657028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).