2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one

C11H14N2O2 — CID 105458883

IUPAC2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one
SMILESCOc1ccc(CN2NCCC2=O)cc1
InChIInChI=1S/C11H14N2O2/c1-15-10-4-2-9(3-5-10)8-13-11(14)6-7-12-13/h2-5,12H,6-8H2,1H3
InChIKeySAKBIPDVXJHGIN-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.93
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one

2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one (PubChem CID 105458883) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one
PubChem CID105458883
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one
SMILESCOc1ccc(CN2NCCC2=O)cc1
InChIInChI=1S/C11H14N2O2/c1-15-10-4-2-9(3-5-10)8-13-11(14)6-7-12-13/h2-5,12H,6-8H2,1H3
InChIKeySAKBIPDVXJHGIN-UHFFFAOYSA-N
XLogP0.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole
CID 174845961
4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-5-one
CID 82296397
cyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium
CID 9281792
1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione
CID 53474889
(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 124629774
1-[(4-methoxyphenyl)methyl]-4-methylidenepiperidine
CID 10656409
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3345025
2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione
CID 146160230
4-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,4-diazepan-5-one
CID 115100594
2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 139370877
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
CID 129101346
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one (CID 105458883) is 2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one is COc1ccc(CN2NCCC2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one?
The InChIKey is SAKBIPDVXJHGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-10-4-2-9(3-5-10)8-13-11(14)6-7-12-13/h2-5,12H,6-8H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one?
2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one has a molecular weight of 206.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one is sourced from PubChem (CID 105458883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).