1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one

C12H20N4O — CID 86808415

IUPAC1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
SMILESCc1[nH]ncc1CNCCCN1CCCC1=O
InChIInChI=1S/C12H20N4O/c1-10-11(9-14-15-10)8-13-5-3-7-16-6-2-4-12(16)17/h9,13H,2-8H2,1H3,(H,14,15)
InChIKeySEYZOVYXWWFKGO-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.82
Rot. Bonds6

About 1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one

1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 86808415) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
PubChem CID86808415
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
SMILESCc1[nH]ncc1CNCCCN1CCCC1=O
InChIInChI=1S/C12H20N4O/c1-10-11(9-14-15-10)8-13-5-3-7-16-6-2-4-12(16)17/h9,13H,2-8H2,1H3,(H,14,15)
InChIKeySEYZOVYXWWFKGO-UHFFFAOYSA-N
XLogP0.82
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one (CID 86808415) is 1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one is Cc1[nH]ncc1CNCCCN1CCCC1=O.
What is the InChIKey of 1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is SEYZOVYXWWFKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10-11(9-14-15-10)8-13-5-3-7-16-6-2-4-12(16)17/h9,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one?
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 86808415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).