Basic information
- CAS
171009-01-1- Standard SMILES
CCCc1cc(-c2[nH]ncc2-c2ccc3c(c2)OCO3)c(O)cc1O- InChIKey
RPXJSZKQTKJXBU-UHFFFAOYSA-N- Molecular formula
- C19H18N2O4
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.12665706
Names & identifiers
- Preferred name
- 4-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-propylbenzene-1,3-diol
- IUPAC
- 4-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-propylbenzene-1,3-diol
Names & synonyms
171009-01-14-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-propylbenzene-1,3-diolZINC04555681Oprea1_330460SCHEMBL14396171DTXSID70425226STAL001253ZINC002456506-[4-(2H-1,3-Benzodioxol-5-yl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-hydroxy-4-propylcyclohexa-2,4-dien-1-one
Database identifiers
- CAS
171009-01-1- PubChem CID
- 767615
- DTXSID
DTXSID70425226
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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