5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one

C20H17N3O2 — CID 90956193

IUPAC5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one
SMILESO=c1[nH][nH]c(=CCc2ccc(O)cc2)c1=Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H17N3O2/c24-15-8-5-13(6-9-15)7-10-19-17(20(25)23-22-19)11-14-12-21-18-4-2-1-3-16(14)18/h1-6,8-12,21-22,24H,7H2,(H,23,25)
InChIKeyNTNWYDIIXHBZTK-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.74
Rot. Bonds3

About 5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one

5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one (PubChem CID 90956193) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one.

Molecular Properties

Compound Name5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one
PubChem CID90956193
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one
SMILESO=c1[nH][nH]c(=CCc2ccc(O)cc2)c1=Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H17N3O2/c24-15-8-5-13(6-9-15)7-10-19-17(20(25)23-22-19)11-14-12-21-18-4-2-1-3-16(14)18/h1-6,8-12,21-22,24H,7H2,(H,23,25)
InChIKeyNTNWYDIIXHBZTK-UHFFFAOYSA-N
XLogP1.74
TPSA84.67 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one
CID 91600485
5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one
CID 91302745
N-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide
CID 91200766
4-(1H-indol-3-ylmethylidene)-2-methyl-5-propan-2-ylidenepyrazolidin-3-one
CID 90777256
(3E)-5-hydroxy-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 69454677
3-[(E)-3-phenylprop-1-enyl]-1H-indole
CID 89155870
(2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one
CID 716705
3-(2,2-dibromoethenyl)-1H-indole
CID 130532177
(3Z)-1-ethyl-3-(1H-indol-3-ylmethylidene)indol-2-one
CID 5425458
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288
(2S)-2-hydroxy-4-(4-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-3-oxobutanoic acid
CID 135070182

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one?
The IUPAC name of 5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one (CID 90956193) is 5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one.
What is the SMILES notation for 5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one?
The canonical SMILES for 5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one is O=c1[nH][nH]c(=CCc2ccc(O)cc2)c1=Cc1c[nH]c2ccccc12.
What is the InChIKey of 5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one?
The InChIKey is NTNWYDIIXHBZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-15-8-5-13(6-9-15)7-10-19-17(20(25)23-22-19)11-14-12-21-18-4-2-1-3-16(14)18/h1-6,8-12,21-22,24H,7H2,(H,23,25).
What are the key properties of 5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one?
5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one has a molecular weight of 331.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one is sourced from PubChem (CID 90956193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).