Basic information
- CAS
364746-32-7- Standard SMILES
O=c1[nH][nH]c2c1CCC2- InChIKey
SACPALZHGDYLNH-UHFFFAOYSA-N- Molecular formula
- C6H8N2O
- Average molar mass
- 124.14 g/mol
- Monoisotopic mass
- 124.06366288
Names & identifiers
- Preferred name
- 2,4,5,6-Tetrahydrocyclopenta[c]pyrazol-3-ol
- IUPAC
- 2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazol-3-one
- English name
- 2,4,5,6-TETRAHYDRO-CYCLOPENTAPYRAZOL-3-OL
- Molecular formula
- C6H8N2O
- Molecular weight
- 124.14
Names & synonyms
364746-32-72,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ol2,4,5,6-Tetrahydro-cyclopentapyrazol-3-ol4344-74-51,4,5,6-Tetrahydrocyclopenta[c]pyrazol-3-ol3-Cyclopentapyrazolol,2,4,5,6-tetrahydro-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazol-3-one2H,4H,5H,6H-cyclopenta[c]pyrazol-3-ol1,2,5,6-Tetrahydrocyclopenta[c]pyrazol-3(4H)-oneMFCD004621561,4,5,6-Tetrahydrocyclopenta[c]pyrazol-3(2H)-oneSCHEMBL18770543
Show more names
SCHEMBL20631156DTXSID20354678PPA74632STK018229AKOS000369567SY163259VS-08887CS-0171571
Database identifiers
- CAS
364746-32-7、4344-74-5- PubChem CID
- 778682
- DTXSID
DTXSID20354678
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 358.1 · 358.1±42.0 °C(Predicted)
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 9.15 · 9.15±0.20(Predicted)
- Appearance
- White to off-white Solid
Chemistry & industry
Suppliers3 total
skychemical Co.Ltd021-20958197 20965099 · [email protected]
上海宸香医药科技有限公司021-20960837 · [email protected]
上海天习化工有限公司021-20960837,QQ1332204249 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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