5-cyclopropylidene-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]pyrazolidin-3-one

C18H26N4O — CID 91187388

IUPAC5-cyclopropylidene-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]pyrazolidin-3-one
SMILESCCN(CC)Cc1c(C)[nH]c(C=c2c(=O)[nH][nH]c2=C2CC2)c1C
InChIInChI=1S/C18H26N4O/c1-5-22(6-2)10-15-11(3)16(19-12(15)4)9-14-17(13-7-8-13)20-21-18(14)23/h9,19-20H,5-8,10H2,1-4H3,(H,21,23)
InChIKeyLCYALAVHTHYHPG-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.26
Rot. Bonds5

About 5-cyclopropylidene-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]pyrazolidin-3-one

5-cyclopropylidene-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]pyrazolidin-3-one (PubChem CID 91187388) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-cyclopropylidene-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]pyrazolidin-3-one.

Molecular Properties

Compound Name5-cyclopropylidene-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]pyrazolidin-3-one
PubChem CID91187388
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name5-cyclopropylidene-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]pyrazolidin-3-one
SMILESCCN(CC)Cc1c(C)[nH]c(C=c2c(=O)[nH][nH]c2=C2CC2)c1C
InChIInChI=1S/C18H26N4O/c1-5-22(6-2)10-15-11(3)16(19-12(15)4)9-14-17(13-7-8-13)20-21-18(14)23/h9,19-20H,5-8,10H2,1-4H3,(H,21,23)
InChIKeyLCYALAVHTHYHPG-UHFFFAOYSA-N
XLogP1.26
TPSA67.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylidene-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]pyrazolidin-3-one?
The IUPAC name of 5-cyclopropylidene-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]pyrazolidin-3-one (CID 91187388) is 5-cyclopropylidene-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]pyrazolidin-3-one.
What is the SMILES notation for 5-cyclopropylidene-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]pyrazolidin-3-one?
The canonical SMILES for 5-cyclopropylidene-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]pyrazolidin-3-one is CCN(CC)Cc1c(C)[nH]c(C=c2c(=O)[nH][nH]c2=C2CC2)c1C.
What is the InChIKey of 5-cyclopropylidene-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]pyrazolidin-3-one?
The InChIKey is LCYALAVHTHYHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-5-22(6-2)10-15-11(3)16(19-12(15)4)9-14-17(13-7-8-13)20-21-18(14)23/h9,19-20H,5-8,10H2,1-4H3,(H,21,23).
What are the key properties of 5-cyclopropylidene-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]pyrazolidin-3-one?
5-cyclopropylidene-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]pyrazolidin-3-one has a molecular weight of 314.43 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylidene-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]pyrazolidin-3-one is sourced from PubChem (CID 91187388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).