3-(3,5-dimethylpyrazol-1-yl)oxolane-2,5-dione

C9H10N2O3 — CID 3718915

IUPAC3-(3,5-dimethylpyrazol-1-yl)oxolane-2,5-dione
SMILESCc1cc(C)n(C2CC(=O)OC2=O)n1
InChIInChI=1S/C9H10N2O3/c1-5-3-6(2)11(10-5)7-4-8(12)14-9(7)13/h3,7H,4H2,1-2H3
InChIKeyYMYBVWKRWGFXTL-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.51
Rot. Bonds1

About 3-(3,5-dimethylpyrazol-1-yl)oxolane-2,5-dione

3-(3,5-dimethylpyrazol-1-yl)oxolane-2,5-dione (PubChem CID 3718915) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)oxolane-2,5-dione
PubChem CID3718915
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)oxolane-2,5-dione
SMILESCc1cc(C)n(C2CC(=O)OC2=O)n1
InChIInChI=1S/C9H10N2O3/c1-5-3-6(2)11(10-5)7-4-8(12)14-9(7)13/h3,7H,4H2,1-2H3
InChIKeyYMYBVWKRWGFXTL-UHFFFAOYSA-N
XLogP0.51
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-(3,5-dimethylpyrazol-1-yl)oxolane-2,5-dione?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)oxolane-2,5-dione (CID 3718915) is 3-(3,5-dimethylpyrazol-1-yl)oxolane-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)oxolane-2,5-dione?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)oxolane-2,5-dione is Cc1cc(C)n(C2CC(=O)OC2=O)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)oxolane-2,5-dione?
The InChIKey is YMYBVWKRWGFXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-5-3-6(2)11(10-5)7-4-8(12)14-9(7)13/h3,7H,4H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)oxolane-2,5-dione?
3-(3,5-dimethylpyrazol-1-yl)oxolane-2,5-dione has a molecular weight of 194.19 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)oxolane-2,5-dione is sourced from PubChem (CID 3718915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).