2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione

C12H9N3O2 — CID 137182918

IUPAC2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
SMILESO=C1CC(=O)n2nc(-c3ccccc3)cc2N1
InChIInChI=1S/C12H9N3O2/c16-11-7-12(17)15-10(13-11)6-9(14-15)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,16)
InChIKeyFRSOFLPUKRAMLQ-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.53
Rot. Bonds1

About 2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione

2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione (PubChem CID 137182918) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
PubChem CID137182918
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
SMILESO=C1CC(=O)n2nc(-c3ccccc3)cc2N1
InChIInChI=1S/C12H9N3O2/c16-11-7-12(17)15-10(13-11)6-9(14-15)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,16)
InChIKeyFRSOFLPUKRAMLQ-UHFFFAOYSA-N
XLogP1.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione?
The IUPAC name of 2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione (CID 137182918) is 2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione.
What is the SMILES notation for 2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione?
The canonical SMILES for 2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione is O=C1CC(=O)n2nc(-c3ccccc3)cc2N1.
What is the InChIKey of 2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione?
The InChIKey is FRSOFLPUKRAMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-11-7-12(17)15-10(13-11)6-9(14-15)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,16).
What are the key properties of 2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione?
2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione has a molecular weight of 227.22 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione is sourced from PubChem (CID 137182918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).