Propylpyrazoletriol (Q25100746)

PROPYLPYRAZOLETRIOL (English)

3 October 2016

chemical formula

C₂₄H₂₂N₂O₃

0 references

canonical SMILES

CCCC=1C(=NN(C1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

1 reference

4,4',4''-(4-propyl-(1H)-pyrazole-1,3,5-triyl)trisphenol (English)

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

20 November 2016

Identifiers

InChI

1 reference

4,4',4''-(4-propyl-(1H)-pyrazole-1,3,5-triyl)trisphenol (English)

IOTXSIGGFRQYKW-UHFFFAOYSA-N

20 November 2016

InChIKey

2 references

4,4',4''-(4-propyl-(1H)-pyrazole-1,3,5-triyl)trisphenol (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

263717-53-9

2 references

4,4',4''-(4-propyl-(1H)-pyrazole-1,3,5-triyl)trisphenol (English)

IOTXSIGGFRQYKW-UHFFFAOYSA-N

20 November 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=263717-53-9

1 reference

1,3,5-tris(4-hydroxyphenyl)-4-propyl-1H-pyrazole (English)

20 November 2016

PubChem CID

5040063

0 references

Reaxys registry number

8798122

1 reference

4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol (English)

3 October 2016

ChEBI ID

64110

mapping relation type

1 reference

PROPYLPYRAZOLETRIOL (English)

20 November 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

PROPYLPYRAZOLETRIOL (English)

20 November 2016

1 reference

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

DTXCID7020392

0 references

Guide to Pharmacology Ligand ID

2819

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

2819

propylpyrazoletriol (English)

Human Metabolome Database ID

20 November 2016

HMDB0256720

1 reference

based on heuristic

inferred from InChIKey

1 reference

4,4',4''-(4-propyl-(1H)-pyrazole-1,3,5-triyl)trisphenol (English)