1,2-dihydropyrano[2,3-c]pyrazole-3,6-dione

C6H4N2O3 — CID 71434555

IUPAC1,2-dihydropyrano[2,3-c]pyrazole-3,6-dione
SMILESO=c1ccc2c(=O)[nH][nH]c2o1
InChIInChI=1S/C6H4N2O3/c9-4-2-1-3-5(10)7-8-6(3)11-4/h1-2H,(H2,7,8,10)
InChIKeySTKMWWGYZPIWPT-UHFFFAOYSA-N
MW152.11 g/mol
LogP-0.19
Rot. Bonds

About 1,2-dihydropyrano[2,3-c]pyrazole-3,6-dione

1,2-dihydropyrano[2,3-c]pyrazole-3,6-dione (PubChem CID 71434555) has the molecular formula C6H4N2O3 and a molecular weight of 152.11 g/mol. Its IUPAC name is 1,2-dihydropyrano[2,3-c]pyrazole-3,6-dione.

Molecular Properties

Compound Name1,2-dihydropyrano[2,3-c]pyrazole-3,6-dione
PubChem CID71434555
Molecular FormulaC6H4N2O3
Molecular Weight152.11 g/mol
Exact Mass152.02
IUPAC Name1,2-dihydropyrano[2,3-c]pyrazole-3,6-dione
SMILESO=c1ccc2c(=O)[nH][nH]c2o1
InChIInChI=1S/C6H4N2O3/c9-4-2-1-3-5(10)7-8-6(3)11-4/h1-2H,(H2,7,8,10)
InChIKeySTKMWWGYZPIWPT-UHFFFAOYSA-N
XLogP-0.19
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrano[2,3-c]pyrazole-3,6-dione?
The IUPAC name of 1,2-dihydropyrano[2,3-c]pyrazole-3,6-dione (CID 71434555) is 1,2-dihydropyrano[2,3-c]pyrazole-3,6-dione.
What is the SMILES notation for 1,2-dihydropyrano[2,3-c]pyrazole-3,6-dione?
The canonical SMILES for 1,2-dihydropyrano[2,3-c]pyrazole-3,6-dione is O=c1ccc2c(=O)[nH][nH]c2o1.
What is the InChIKey of 1,2-dihydropyrano[2,3-c]pyrazole-3,6-dione?
The InChIKey is STKMWWGYZPIWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O3/c9-4-2-1-3-5(10)7-8-6(3)11-4/h1-2H,(H2,7,8,10).
What are the key properties of 1,2-dihydropyrano[2,3-c]pyrazole-3,6-dione?
1,2-dihydropyrano[2,3-c]pyrazole-3,6-dione has a molecular weight of 152.11 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrano[2,3-c]pyrazole-3,6-dione is sourced from PubChem (CID 71434555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).