5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one

C16H15N3O2 — CID 90868064

IUPAC5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one
SMILESCc1ccc(OC=c2[nH][nH]c(=O)c2=Cc2ccc[nH]2)cc1
InChIInChI=1S/C16H15N3O2/c1-11-4-6-13(7-5-11)21-10-15-14(16(20)19-18-15)9-12-3-2-8-17-12/h2-10,17-18H,1H3,(H,19,20)
InChIKeyFFUGQQJXUDPDFG-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.99
Rot. Bonds3

About 5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one

5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one (PubChem CID 90868064) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one.

Molecular Properties

Compound Name5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one
PubChem CID90868064
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one
SMILESCc1ccc(OC=c2[nH][nH]c(=O)c2=Cc2ccc[nH]2)cc1
InChIInChI=1S/C16H15N3O2/c1-11-4-6-13(7-5-11)21-10-15-14(16(20)19-18-15)9-12-3-2-8-17-12/h2-10,17-18H,1H3,(H,19,20)
InChIKeyFFUGQQJXUDPDFG-UHFFFAOYSA-N
XLogP0.99
TPSA73.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one
CID 91428278
(3E)-7-methoxy-3-(1H-pyrrol-2-ylmethylidene)chromen-4-one
CID 54753315
4-methyl-N-(1H-pyrrol-2-ylmethylideneamino)aniline
CID 136704705
ethoxyethane;1H-pyrrole-2-carbaldehyde
CID 174491335
N-(2,6-dimethylphenyl)-2-[(5E)-2,4-dioxo-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide
CID 126321728
(2E,4Z)-8-methyl-2,4-bis(1H-pyrrol-2-ylmethylidene)-8-azabicyclo[3.2.1]octan-3-one
CID 6166701
(4E)-5-(4-methoxyphenyl)imino-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one
CID 135724201
1-methyl-4-propa-1,2-dienoxybenzene
CID 86151206
dimethyl(1H-pyrrol-2-ylmethylidene)azanium
CID 12676266
(5E)-3-ethyl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 17276809
(5E)-3-(2-methylphenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 19548055
5-(4-methylphenoxy)-1H-pyrimidine-2,4-dione
CID 12661865

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one?
The IUPAC name of 5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one (CID 90868064) is 5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one.
What is the SMILES notation for 5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one?
The canonical SMILES for 5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one is Cc1ccc(OC=c2[nH][nH]c(=O)c2=Cc2ccc[nH]2)cc1.
What is the InChIKey of 5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one?
The InChIKey is FFUGQQJXUDPDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-4-6-13(7-5-11)21-10-15-14(16(20)19-18-15)9-12-3-2-8-17-12/h2-10,17-18H,1H3,(H,19,20).
What are the key properties of 5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one?
5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one has a molecular weight of 281.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one is sourced from PubChem (CID 90868064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).