5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one

C13H12N4O — CID 3052910

IUPAC5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cn[nH]c2ncn1CCc1ccccc1
InChIInChI=1S/C13H12N4O/c18-13-11-8-15-16-12(11)14-9-17(13)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,15,16)
InChIKeyGIZUAZUUKUGDLI-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.36
Rot. Bonds3

About 5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one

5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3052910) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3052910
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cn[nH]c2ncn1CCc1ccccc1
InChIInChI=1S/C13H12N4O/c18-13-11-8-15-16-12(11)14-9-17(13)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,15,16)
InChIKeyGIZUAZUUKUGDLI-UHFFFAOYSA-N
XLogP1.36
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one (CID 3052910) is 5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cn[nH]c2ncn1CCc1ccccc1.
What is the InChIKey of 5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GIZUAZUUKUGDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-13-11-8-15-16-12(11)14-9-17(13)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,15,16).
What are the key properties of 5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 240.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3052910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).