2,2-Dimethyl-5-[(1-methyl-1H-pyrazol-3-ylamino)-methylene]-[1,3]dioxane-4,6-dione
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Basic information
- Standard SMILES
Cn1ccc(NC=C2C(=O)OC(C)(C)OC2=O)n1- InChIKey
FLJCNOWRDWAZCR-UHFFFAOYSA-N- Molecular formula
- C11H13N3O4
- Average molar mass
- 251.24 g/mol
Names & identifiers
- Preferred name
- 2,2-Dimethyl-5-[(1-methyl-1H-pyrazol-3-ylamino)-methylene]-[1,3]dioxane-4,6-dione
- IUPAC
- 2,2-dimethyl-5-[[(1-methylpyrazol-3-yl)amino]methylidene]-1,3-dioxane-4,6-dione
Names & synonyms
SCHEMBL1477391FLJCNOWRDWAZCR-UHFFFAOYSA-N2,2-Dimethyl-5-[(1-methyl-1H-pyrazol-3-ylamino)-methylene]-[1,3]dioxane-4,6-dione
Database identifiers
- PubChem CID
- 67047784
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 383
Related reactions
3 records
Compound notes
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