1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one

C12H20N4O — CID 56780234

IUPAC1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one
SMILESCc1cnn(CCNCCN2CCCC2=O)c1
InChIInChI=1S/C12H20N4O/c1-11-9-14-16(10-11)8-5-13-4-7-15-6-2-3-12(15)17/h9-10,13H,2-8H2,1H3
InChIKeyVZLZJYQAEQJGBO-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.40
Rot. Bonds6

About 1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one

1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one (PubChem CID 56780234) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one
PubChem CID56780234
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one
SMILESCc1cnn(CCNCCN2CCCC2=O)c1
InChIInChI=1S/C12H20N4O/c1-11-9-14-16(10-11)8-5-13-4-7-15-6-2-3-12(15)17/h9-10,13H,2-8H2,1H3
InChIKeyVZLZJYQAEQJGBO-UHFFFAOYSA-N
XLogP0.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one
CID 19837416
1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 97115498
1-[2-(ethylamino)ethyl]piperidin-2-one
CID 61387338
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62565066
1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one
CID 95285675
1-[2-(ethylamino)ethyl]azocan-2-one
CID 61386984
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649741
3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 62565456
N-[(4-chlorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649533
N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide
CID 56780256
1-(5-methyl-2-pyridinyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea
CID 100758129
1-(3,5-dimethylphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea
CID 100757800

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one (CID 56780234) is 1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one is Cc1cnn(CCNCCN2CCCC2=O)c1.
What is the InChIKey of 1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one?
The InChIKey is VZLZJYQAEQJGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-11-9-14-16(10-11)8-5-13-4-7-15-6-2-3-12(15)17/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one?
1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 56780234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).