4-Hydroxy-1,2-dihydro-3H-pyrazol-3-one
Basic information
- CAS
53666-86-7- Standard SMILES
O=c1[nH][nH]cc1O- InChIKey
FXBHJZPRYWOEFB-UHFFFAOYSA-N- Molecular formula
- C3H4N2O2
- Average molar mass
- 100.08 g/mol
- Monoisotopic mass
- 100.02727738
Names & identifiers
- Preferred name
- 4-Hydroxy-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 4-hydroxy-1,2-dihydropyrazol-3-one
Names & synonyms
53666-86-74-Hydroxy-1,2-dihydro-3H-pyrazol-3-oneDTXSID80603295RefChem:293112DTXCID405540524-Hydroxy-1H-pyrazol-3(2H)-one3,4-dihydroxypyrazole4,5-dihydroxypyrazole1H-pyrazole-3,4-diolSCHEMBL1630091SCHEMBL4332505SCHEMBL10743910
Show more names
AKOS026717677F2147-5190
Database identifiers
- CAS
53666-86-7- PubChem CID
- 20186876
- DTXSID
DTXSID80603295
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 129
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Related reactions
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Compound notes
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