(4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one

C21H19N3O — CID 2310378

IUPAC(4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccccc2)c(=O)/c1=C/c1cn(CC)c2ccccc12
InChIInChI=1S/C21H19N3O/c1-3-23-14-16(18-11-7-8-12-20(18)23)13-19-15(2)22-24(21(19)25)17-9-5-4-6-10-17/h4-14,22H,2-3H2,1H3/b19-13+
InChIKeyXAOSFYUNLSFQCL-CPNJWEJPSA-N
MW329.40 g/mol
LogP2.38
Rot. Bonds3

About (4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one

(4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one (PubChem CID 2310378) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is (4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name(4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
PubChem CID2310378
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name(4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccccc2)c(=O)/c1=C/c1cn(CC)c2ccccc12
InChIInChI=1S/C21H19N3O/c1-3-23-14-16(18-11-7-8-12-20(18)23)13-19-15(2)22-24(21(19)25)17-9-5-4-6-10-17/h4-14,22H,2-3H2,1H3/b19-13+
InChIKeyXAOSFYUNLSFQCL-CPNJWEJPSA-N
XLogP2.38
TPSA42.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate
CID 2341150
(4Z)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2318055
(5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 162786971
(5E)-3-ethyl-5-[(1-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1210323
(5Z)-5-[(1-ethylindol-3-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione
CID 126139555
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 91505289
5-methylidene-4-[(5-nitrofuran-2-yl)methylidene]-2-phenylpyrazolidin-3-one
CID 53452933
(5Z)-5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 44714477
(5Z)-3-(3,4-dimethylphenyl)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 44714137
(2S)-2-[4-[(E)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]propanoic acid
CID 2274533
(5E)-1-(4-chlorophenyl)-5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1363624
(4Z)-1-(3-chloro-4-methylphenyl)-4-[(1-ethylindol-3-yl)methylidene]pyrazolidine-3,5-dione
CID 40526891

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
The IUPAC name of (4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one (CID 2310378) is (4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one.
What is the SMILES notation for (4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
The canonical SMILES for (4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one is C=c1[nH]n(-c2ccccc2)c(=O)/c1=C/c1cn(CC)c2ccccc12.
What is the InChIKey of (4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
The InChIKey is XAOSFYUNLSFQCL-CPNJWEJPSA-N. The full InChI is InChI=1S/C21H19N3O/c1-3-23-14-16(18-11-7-8-12-20(18)23)13-19-15(2)22-24(21(19)25)17-9-5-4-6-10-17/h4-14,22H,2-3H2,1H3/b19-13+.
What are the key properties of (4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
(4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one has a molecular weight of 329.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one is sourced from PubChem (CID 2310378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).