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

C6H5N3O2 — CID 135787026

IUPAC4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
SMILESO=C1CC(=O)n2nccc2N1
InChIInChI=1S/C6H5N3O2/c10-5-3-6(11)9-4(8-5)1-2-7-9/h1-2H,3H2,(H,8,10)
InChIKeyWLKWWISJQDPNNJ-UHFFFAOYSA-N
MW151.12 g/mol
LogP-0.13
Rot. Bonds

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

4H-pyrazolo[1,5-a]pyrimidine-5,7-dione (PubChem CID 135787026) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 4H-pyrazolo[1,5-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
PubChem CID135787026
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
SMILESO=C1CC(=O)n2nccc2N1
InChIInChI=1S/C6H5N3O2/c10-5-3-6(11)9-4(8-5)1-2-7-9/h1-2H,3H2,(H,8,10)
InChIKeyWLKWWISJQDPNNJ-UHFFFAOYSA-N
XLogP-0.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-0.13
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 4H-pyrazolo[1,5-a]pyrimidine-5,7-dione?
The IUPAC name of 4H-pyrazolo[1,5-a]pyrimidine-5,7-dione (CID 135787026) is 4H-pyrazolo[1,5-a]pyrimidine-5,7-dione.
What is the SMILES notation for 4H-pyrazolo[1,5-a]pyrimidine-5,7-dione?
The canonical SMILES for 4H-pyrazolo[1,5-a]pyrimidine-5,7-dione is O=C1CC(=O)n2nccc2N1.
What is the InChIKey of 4H-pyrazolo[1,5-a]pyrimidine-5,7-dione?
The InChIKey is WLKWWISJQDPNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c10-5-3-6(11)9-4(8-5)1-2-7-9/h1-2H,3H2,(H,8,10).
What are the key properties of 4H-pyrazolo[1,5-a]pyrimidine-5,7-dione?
4H-pyrazolo[1,5-a]pyrimidine-5,7-dione has a molecular weight of 151.12 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrazolo[1,5-a]pyrimidine-5,7-dione is sourced from PubChem (CID 135787026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).