5-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C13H12N4O — CID 135911553

IUPAC5-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCc1nc2cn(-c3ccccc3)nc2c(=O)[nH]1
InChIInChI=1S/C13H12N4O/c1-2-11-14-10-8-17(9-6-4-3-5-7-9)16-12(10)13(18)15-11/h3-8H,2H2,1H3,(H,14,15,18)
InChIKeyVENUWBMCARDXRR-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.67
Rot. Bonds2

About 5-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

5-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135911553) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135911553
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name5-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCc1nc2cn(-c3ccccc3)nc2c(=O)[nH]1
InChIInChI=1S/C13H12N4O/c1-2-11-14-10-8-17(9-6-4-3-5-7-9)16-12(10)13(18)15-11/h3-8H,2H2,1H3,(H,14,15,18)
InChIKeyVENUWBMCARDXRR-UHFFFAOYSA-N
XLogP1.67
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135911553) is 5-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is CCc1nc2cn(-c3ccccc3)nc2c(=O)[nH]1.
What is the InChIKey of 5-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is VENUWBMCARDXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-11-14-10-8-17(9-6-4-3-5-7-9)16-12(10)13(18)15-11/h3-8H,2H2,1H3,(H,14,15,18).
What are the key properties of 5-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
5-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 240.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135911553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).