1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole
Basic information
- CAS
5078-31-9- Standard SMILES
COc1cccc(-c2nn(-c3ccc4c(c3)OCCO4)c3c2CCN3)c1- InChIKey
MBKDDOKUJXQIGF-UHFFFAOYSA-N- Molecular formula
- C20H19N3O3
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.14264148
Names & identifiers
- Preferred name
- 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole
- IUPAC
- 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
Names & synonyms
5078-31-91-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazoleDTXSID604224211-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4,5-tetrahydropyrrolo[2,3-c]pyrazole
Database identifiers
- CAS
5078-31-9- PubChem CID
- 5217152
- DTXSID
DTXSID60422421
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 493
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…