4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one

C15H15N3O — CID 91600485

IUPAC4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one
SMILESCC(C)=c1[nH][nH]c(=O)c1=Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H15N3O/c1-9(2)14-12(15(19)18-17-14)7-10-8-16-13-6-4-3-5-11(10)13/h3-8,16-17H,1-2H3,(H,18,19)
InChIKeyJLZDMFLKFZVNMH-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.20
Rot. Bonds1

About 4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one

4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one (PubChem CID 91600485) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one.

Molecular Properties

Compound Name4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one
PubChem CID91600485
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one
SMILESCC(C)=c1[nH][nH]c(=O)c1=Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H15N3O/c1-9(2)14-12(15(19)18-17-14)7-10-8-16-13-6-4-3-5-11(10)13/h3-8,16-17H,1-2H3,(H,18,19)
InChIKeyJLZDMFLKFZVNMH-UHFFFAOYSA-N
XLogP1.20
TPSA64.44 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1H-indol-3-ylmethylidene)-2-methyl-5-propan-2-ylidenepyrazolidin-3-one
CID 90777256
5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one
CID 91302745
5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one
CID 90956193
N-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide
CID 91200766
(2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one
CID 716705
3-(2,2-dibromoethenyl)-1H-indole
CID 130532177
2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid
CID 85336038
(E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
CID 15080381
2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate
CID 163135142
(Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid
CID 67920432
1H-indole-3-carbaldehyde;1H-indole-3-carboxylic acid
CID 87759700
5-chloro-2-(1H-indol-3-ylmethylidene)-1-benzothiophen-3-one
CID 67028094

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one?
The IUPAC name of 4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one (CID 91600485) is 4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one.
What is the SMILES notation for 4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one?
The canonical SMILES for 4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one is CC(C)=c1[nH][nH]c(=O)c1=Cc1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one?
The InChIKey is JLZDMFLKFZVNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9(2)14-12(15(19)18-17-14)7-10-8-16-13-6-4-3-5-11(10)13/h3-8,16-17H,1-2H3,(H,18,19).
What are the key properties of 4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one?
4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one has a molecular weight of 253.31 g/mol, XLogP of 1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one is sourced from PubChem (CID 91600485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).