Basic information
- CAS
68946-22-5- Standard SMILES
CCn1nc2c(c1C)C(O)(C1CCN(C)CC1)c1ccccc1-2- InChIKey
LKRUIVOGRUCNGJ-UHFFFAOYSA-N- Molecular formula
- C19H25N3O
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.19976243
Names & identifiers
- Preferred name
- Indeno(1,2-c)pyrazol-4-ol, 2,4-dihydro-2-ethyl-3-methyl-4-(1-methyl-4-piperidyl)-
- IUPAC
- 2-ethyl-3-methyl-4-(1-methylpiperidin-4-yl)indeno[1,2-c]pyrazol-4-ol
- English name
- 2,4-Dihydro-2-ethyl-3-methyl-4-(1-methyl-4-piperidyl)indeno[1,2-c]pyrazol-4-ol
- Molecular formula
- C19H25N3O
- Molecular weight
- 311.42
Names & synonyms
BRN 069444368946-22-52-Ethyl-3-methyl-4-(1-methyl-4-piperidyl)-2,4-dihydroindeno(1,2-c)pyrazol-4-olIndeno(1,2-c)pyrazol-4-ol, 2,4-dihydro-2-ethyl-3-methyl-4-(1-methyl-4-piperidyl)-RefChem:349083DTXSID409886762-ethyl-3-methyl-4-(1-methylpiperidin-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-4-ol2,4-Dihydro-2-ethyl-3-methyl-4-(1-methyl-4-piperidyl)indeno[1,2-c]pyrazol-4-olIndeno[1,2-c]pyrazol-4-ol, 2-ethyl-2,4-dihydro-3-methyl-4-(1-methyl-4-piperidinyl)-
Database identifiers
- CAS
68946-22-5- PubChem CID
- 155124
- DTXSID
DTXSID40988676- Nikkaji
- J62.641D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Melting point
- 211 · 211-213 °C(Solv: cyclohexane (110-82-7))
- Boiling point
- 482.8 · 482.8±45.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 12.74 · 12.74±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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