2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one

C14H20N2O2 — CID 71150792

IUPAC2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one
SMILESCCCCN1C(=O)CCN1c1cccc(OC)c1
InChIInChI=1S/C14H20N2O2/c1-3-4-9-16-14(17)8-10-15(16)12-6-5-7-13(11-12)18-2/h5-7,11H,3-4,8-10H2,1-2H3
InChIKeyVVABUMTTXXLTKL-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.45
Rot. Bonds5

About 2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one

2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one (PubChem CID 71150792) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one
PubChem CID71150792
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one
SMILESCCCCN1C(=O)CCN1c1cccc(OC)c1
InChIInChI=1S/C14H20N2O2/c1-3-4-9-16-14(17)8-10-15(16)12-6-5-7-13(11-12)18-2/h5-7,11H,3-4,8-10H2,1-2H3
InChIKeyVVABUMTTXXLTKL-UHFFFAOYSA-N
XLogP2.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-1-(3-methoxyphenyl)pyrazolidin-3-one
CID 71150791
1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine
CID 91824001
1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
CID 84602746
2-(3-methoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4577746
N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786
1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione
CID 14449114
1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
CID 39992148
3-butyl-4-(3-methoxyphenyl)-1H-1,2,4-triazol-5-one
CID 50956867
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7255137
(5S)-4-butylsulfonyl-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 126446828
(2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine
CID 150274574
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one?
The IUPAC name of 2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one (CID 71150792) is 2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one.
What is the SMILES notation for 2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one?
The canonical SMILES for 2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one is CCCCN1C(=O)CCN1c1cccc(OC)c1.
What is the InChIKey of 2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one?
The InChIKey is VVABUMTTXXLTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-4-9-16-14(17)8-10-15(16)12-6-5-7-13(11-12)18-2/h5-7,11H,3-4,8-10H2,1-2H3.
What are the key properties of 2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one?
2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one has a molecular weight of 248.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one is sourced from PubChem (CID 71150792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).