2-(1,2-Dihydro-3H-pyrazol-3-ylidene)-6-methoxy-2H-indole
Basic information
- CAS
827317-45-3- Standard SMILES
COc1ccc2cc(-c3ccn[nH]3)[nH]c2c1- InChIKey
SPCAEVXEMMUWRX-UHFFFAOYSA-N- Molecular formula
- C12H11N3O
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.09021198
Names & identifiers
- Preferred name
- 2-(1,2-Dihydro-3H-pyrazol-3-ylidene)-6-methoxy-2H-indole
- IUPAC
- 6-methoxy-2-(1H-pyrazol-5-yl)-1H-indole
Names & synonyms
827317-45-3DTXSID308368992-(1,2-Dihydro-3H-pyrazol-3-ylidene)-6-methoxy-2H-indole
Database identifiers
- CAS
827317-45-3- PubChem CID
- 136235151
- DTXSID
DTXSID30836899
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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