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

C12H14N2O3 — CID 71150791

IUPAC2-acetyl-1-(3-methoxyphenyl)pyrazolidin-3-one
SMILESCOc1cccc(N2CCC(=O)N2C(C)=O)c1
InChIInChI=1S/C12H14N2O3/c1-9(15)14-12(16)6-7-13(14)10-4-3-5-11(8-10)17-2/h3-5,8H,6-7H2,1-2H3
InChIKeyPKUKXKHPXMNVJJ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.20
Rot. Bonds2

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

2-acetyl-1-(3-methoxyphenyl)pyrazolidin-3-one (PubChem CID 71150791) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-acetyl-1-(3-methoxyphenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name2-acetyl-1-(3-methoxyphenyl)pyrazolidin-3-one
PubChem CID71150791
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-acetyl-1-(3-methoxyphenyl)pyrazolidin-3-one
SMILESCOc1cccc(N2CCC(=O)N2C(C)=O)c1
InChIInChI=1S/C12H14N2O3/c1-9(15)14-12(16)6-7-13(14)10-4-3-5-11(8-10)17-2/h3-5,8H,6-7H2,1-2H3
InChIKeyPKUKXKHPXMNVJJ-UHFFFAOYSA-N
XLogP1.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-1-(3-methoxyphenyl)pyrazolidin-3-one
CID 71150792
(3S)-3-acetyl-1-(3-methoxyphenyl)piperidin-2-one
CID 125457892
4-acetyl-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7215239
3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475750
2-[1-(3-methoxyphenyl)piperidin-4-ylidene]acetic acid
CID 53435654
(2S)-1-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 66924554
1-(3-methoxyphenyl)-5-oxo-2H-triazole-4-carboxylic acid
CID 23008892
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918
(1S,2S,6S,7S)-4-(3-methoxyphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 100810508
[3-(2,5-dioxopyrrolidin-1-yl)phenyl] acetate
CID 761230
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
CID 64696870

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-1-(3-methoxyphenyl)pyrazolidin-3-one?
The IUPAC name of 2-acetyl-1-(3-methoxyphenyl)pyrazolidin-3-one (CID 71150791) is 2-acetyl-1-(3-methoxyphenyl)pyrazolidin-3-one.
What is the SMILES notation for 2-acetyl-1-(3-methoxyphenyl)pyrazolidin-3-one?
The canonical SMILES for 2-acetyl-1-(3-methoxyphenyl)pyrazolidin-3-one is COc1cccc(N2CCC(=O)N2C(C)=O)c1.
What is the InChIKey of 2-acetyl-1-(3-methoxyphenyl)pyrazolidin-3-one?
The InChIKey is PKUKXKHPXMNVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-9(15)14-12(16)6-7-13(14)10-4-3-5-11(8-10)17-2/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-acetyl-1-(3-methoxyphenyl)pyrazolidin-3-one?
2-acetyl-1-(3-methoxyphenyl)pyrazolidin-3-one has a molecular weight of 234.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-1-(3-methoxyphenyl)pyrazolidin-3-one is sourced from PubChem (CID 71150791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).