methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one

C13H22N2O2 — CID 159587587

IUPACmethane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one
SMILESC.C.COCC1CN(c2ccccc2)NC1=O
InChIInChI=1S/C11H14N2O2.2CH4/c1-15-8-9-7-13(12-11(9)14)10-5-3-2-4-6-10;;/h2-6,9H,7-8H2,1H3,(H,12,14);2*1H4
InChIKeyMJUYMJHZEGBGRP-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.07
Rot. Bonds3

About methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one

methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one (PubChem CID 159587587) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one.

Molecular Properties

Compound Namemethane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one
PubChem CID159587587
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Namemethane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one
SMILESC.C.COCC1CN(c2ccccc2)NC1=O
InChIInChI=1S/C11H14N2O2.2CH4/c1-15-8-9-7-13(12-11(9)14)10-5-3-2-4-6-10;;/h2-6,9H,7-8H2,1H3,(H,12,14);2*1H4
InChIKeyMJUYMJHZEGBGRP-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one
CID 14840375
4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one
CID 14840376
4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one
CID 23393107
4-methyl-1-phenylpyrazolidin-3-one
CID 158996523
(4R)-4-methyl-1-phenylpyrazolidin-3-one
CID 685628
1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one
CID 14840379
4-hydroxy-1-phenylpyrazolidin-3-one
CID 22417558
benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one
CID 163578199
4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one
CID 10560937
4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one
CID 14840377
7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one
CID 70381044
4,5-dimethyl-1-phenylpyrazolidin-3-one;5-ethyl-4-methyl-1-phenylpyrazolidin-3-one;(3-oxo-1-phenylpyrazolidin-4-yl)methyl N,N-dimethylcarbamate;4,5,5-trimethyl-1-phenylpyrazolidin-3-one
CID 160886684

Frequently Asked Questions

What is the IUPAC name of methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one?
The IUPAC name of methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one (CID 159587587) is methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one.
What is the SMILES notation for methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one?
The canonical SMILES for methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one is C.C.COCC1CN(c2ccccc2)NC1=O.
What is the InChIKey of methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one?
The InChIKey is MJUYMJHZEGBGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.2CH4/c1-15-8-9-7-13(12-11(9)14)10-5-3-2-4-6-10;;/h2-6,9H,7-8H2,1H3,(H,12,14);2*1H4.
What are the key properties of methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one?
methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one has a molecular weight of 238.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one is sourced from PubChem (CID 159587587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).