2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one

C11H19N3O — CID 83857019

IUPAC2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one
SMILESCc1c(CCC2CCNC2)[nH]n(C)c1=O
InChIInChI=1S/C11H19N3O/c1-8-10(13-14(2)11(8)15)4-3-9-5-6-12-7-9/h9,12-13H,3-7H2,1-2H3
InChIKeyMENVOTSBBOEEER-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.56
Rot. Bonds3

About 2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one

2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one (PubChem CID 83857019) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one
PubChem CID83857019
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one
SMILESCc1c(CCC2CCNC2)[nH]n(C)c1=O
InChIInChI=1S/C11H19N3O/c1-8-10(13-14(2)11(8)15)4-3-9-5-6-12-7-9/h9,12-13H,3-7H2,1-2H3
InChIKeyMENVOTSBBOEEER-UHFFFAOYSA-N
XLogP0.56
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole
CID 83858637
1-(2-pyrrolidin-3-ylethyl)imidazolidin-2-one
CID 63624009
1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione
CID 115042065
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054457
4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one
CID 79887369
N-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 119534402
4-methyl-2-(2-pyrrolidin-3-ylethyl)-1,2,4-triazol-3-one
CID 130987404
3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine
CID 116925480
9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054776
4-(2-pyrrolidin-3-ylethyl)pyridine
CID 83481928
1-methyl-3-(2-pyrrolidin-3-ylethyl)pyrazol-5-amine
CID 83847502

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one?
The IUPAC name of 2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one (CID 83857019) is 2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one is Cc1c(CCC2CCNC2)[nH]n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one?
The InChIKey is MENVOTSBBOEEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-10(13-14(2)11(8)15)4-3-9-5-6-12-7-9/h9,12-13H,3-7H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one?
2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one has a molecular weight of 209.29 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 83857019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).