Basic information
- CAS
62833-06-1- Standard SMILES
O=C(O)/C=C/C(=O)O.OC1CCN(CCCOc2nn(-c3ccccc3)cc2-c2ccccc2)CC1- InChIKey
AIDYQCOJFOCJTA-WLHGVMLRSA-N- Molecular formula
- C27H31N3O6
- Average molar mass
- 493.6 g/mol
- Monoisotopic mass
- 493.22128572
Names & identifiers
- Preferred name
- 2-Butenedioic acid, compd. with 1-(3-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)propyl)-4-piperidinol (1:1)
- IUPAC
- (E)-but-2-enedioic acid;1-[3-(1,4-diphenylpyrazol-3-yl)oxypropyl]piperidin-4-ol
Names & synonyms
62833-06-1RefChem:1062620
Database identifiers
- CAS
62833-06-1- PubChem CID
- 6446571
Properties
Computed structural properties
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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