5-ethoxy-2-(5-oxo-1,4-dihydropyrazol-3-yl)-4H-pyrazol-3-one
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Basic information
- CAS
343778-30-3- Standard SMILES
CCOC1=NN(C2=NNC(=O)C2)C(=O)C1- InChIKey
ONQXHJQNSKTFEB-UHFFFAOYSA-N- Molecular formula
- C8H10N4O3
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.07529019
Names & identifiers
- Preferred name
- 5-ethoxy-2-(5-oxo-1,4-dihydropyrazol-3-yl)-4H-pyrazol-3-one
- IUPAC
- 5-ethoxy-2-(5-oxo-1,4-dihydropyrazol-3-yl)-4H-pyrazol-3-one
- English name
- [1,3-Bi-1H-pyrazole]-5,5(4H,4H)-dione,3-ethoxy-(9CI)
- Molecular formula
- C8H10N4O3
- Molecular weight
- 210.19
Names & synonyms
[1,3-Bi-1H-pyrazole]-5,5(4H,4H)-dione,3-ethoxy-(9CI)5-ethoxy-2-(5-oxo-1,4-dihydropyrazol-3-yl)-4H-pyrazol-3-one
Database identifiers
- CAS
343778-30-3- PubChem CID
- 12629096
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
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Compound notes
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