Propyl pyrazole triol
PubChem CID: 5040063
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| Compound Synonyms | 263717-53-9, PPT, propyl pyrazole triol, 1,3,5-Tris(4-hydroxyphenyl)-4-propyl-1H-pyrazole, PROPYLPYRAZOLETRIOL, 4,4',4''-(4-propyl-1H-pyrazole-1,3,5-triyl)triphenol, Phenol, 4,4',4''-(4-propyl-1H-pyrazole-1,3,5-triyl)tris-, 0T83Y6JZPF, 4,4',4''-(4-propyl-(1H)-pyrazole-1,3,5-triyl)trisphenol, 4,4',4''-(4-Propyl-[1H]-pyrazole-1,3,5-triyl)trisphenol, CHEBI:64110, 1,3,5-tris(4-hydroxyphenyl)-4-propylpyrazole, 4-[2,5-BIS(4-HYDROXYPHENYL)-4-PROPYLPYRAZOL-3-YL]PHENOL, 4-Propyl-1,3,5-tri((4-hydroxy)phenyl)pyrazole, 4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol, 4-(1,5-bis(4-hydroxyphenyl)-4-propyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,5-dien-1-one, PPT trisphenol compound, SR-01000075913, C24H22N2O3, NCGC00015511-01, Tocris-1426, Lopac-H-6036, UNII-0T83Y6JZPF, Lopac0_000575, MLS001056593, SCHEMBL426190, CHEMBL441282, GTPL2819, DTXSID9040392, CHEBI:92007, 4,4',4'-(4-Propyl-[1H]-pyrazole-1,3,5-triyl)trisphenol, HMS2233O06, HMS3261D12, HMS3267J14, HMS3412O22, HMS3650I12, HMS3676O22, Tox21_500575, BDBM50398935, HB2499, MFCD03453628, AKOS024456590, CCG-204664, LP00575, SDCCGSBI-0050557.P002, NCGC00015511-02, NCGC00015511-03, NCGC00015511-04, NCGC00015511-05, NCGC00015511-06, NCGC00015511-12, NCGC00025159-01, NCGC00025159-02, NCGC00025159-03, NCGC00025159-04, NCGC00261260-01, BP162642, BS-50587, SMR000326968, DB-014970, HY-100689, CS-0019976, EU-0100575, NS00134116, E73988, H 6036, SR-01000075913-1, SR-01000075913-3, SR-01000075913-6, SR-01000075913-9, 1,3,5-Tri-(4'-hydroxyphenyl)-4-propyl-1H-pyrazole, BRD-K00312224-001-03-8, BRD-K00312224-001-09-5, Q27088459, Q27163803, 1,3,5-Tris(4-hydroxyphenyl)-4-propyl-1H-pyrazole, powder, >=98% (HPLC), 4,4',4''-(4-Propyl-[1H]-pyrazole-1,3,5-triyl)trisphenol, Propyl pyrazole triol, 4-[2,3-bis(4-hydroxyphenyl)-4-propyl-1H-pyrazol-5-ylidene]-1-cyclohexa-2,5-dienone |
|---|---|
| Topological Polar Surface Area | 78.5 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 494.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2,5-bis(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol |
| Prediction Hob | 1.0 |
| Target Id | NPT108 |
| Xlogp | 5.5 |
| Molecular Formula | C24H22N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IOTXSIGGFRQYKW-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -3.779 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.047 |
| Compound Name | Propyl pyrazole triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 386.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.163 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 386.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.951592751724139 |
| Inchi | InChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,27-29H,2-3H2,1H3 |
| Smiles | CCCC1=C(N(N=C1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients