1H-pyrazole;pyrrole-2,5-dione

C7H7N3O2 — CID 22037740

IUPAC1H-pyrazole;pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1.c1cn[nH]c1
InChIInChI=1S/C4H3NO2.C3H4N2/c6-3-1-2-4(7)5-3;1-2-4-5-3-1/h1-2H,(H,5,6,7);1-3H,(H,4,5)
InChIKeyKWIWLRCKBLSFPI-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.39
Rot. Bonds

About 1H-pyrazole;pyrrole-2,5-dione

1H-pyrazole;pyrrole-2,5-dione (PubChem CID 22037740) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 1H-pyrazole;pyrrole-2,5-dione.

Molecular Properties

Compound Name1H-pyrazole;pyrrole-2,5-dione
PubChem CID22037740
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name1H-pyrazole;pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1.c1cn[nH]c1
InChIInChI=1S/C4H3NO2.C3H4N2/c6-3-1-2-4(7)5-3;1-2-4-5-3-1/h1-2H,(H,5,6,7);1-3H,(H,4,5)
InChIKeyKWIWLRCKBLSFPI-UHFFFAOYSA-N
XLogP-0.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole;pyrrole-2,5-dione?
The IUPAC name of 1H-pyrazole;pyrrole-2,5-dione (CID 22037740) is 1H-pyrazole;pyrrole-2,5-dione.
What is the SMILES notation for 1H-pyrazole;pyrrole-2,5-dione?
The canonical SMILES for 1H-pyrazole;pyrrole-2,5-dione is O=C1C=CC(=O)N1.c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole;pyrrole-2,5-dione?
The InChIKey is KWIWLRCKBLSFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.C3H4N2/c6-3-1-2-4(7)5-3;1-2-4-5-3-1/h1-2H,(H,5,6,7);1-3H,(H,4,5).
What are the key properties of 1H-pyrazole;pyrrole-2,5-dione?
1H-pyrazole;pyrrole-2,5-dione has a molecular weight of 165.15 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole;pyrrole-2,5-dione is sourced from PubChem (CID 22037740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).