5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one

C15H18N4O — CID 103743104

IUPAC5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCc2ccccc2-n2cccn2)N1
InChIInChI=1S/C15H18N4O/c20-15-7-6-13(18-15)11-16-10-12-4-1-2-5-14(12)19-9-3-8-17-19/h1-5,8-9,13,16H,6-7,10-11H2,(H,18,20)
InChIKeyQPZSEAUXGASKPE-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.24
Rot. Bonds5

About 5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one

5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one (PubChem CID 103743104) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one
PubChem CID103743104
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCc2ccccc2-n2cccn2)N1
InChIInChI=1S/C15H18N4O/c20-15-7-6-13(18-15)11-16-10-12-4-1-2-5-14(12)19-9-3-8-17-19/h1-5,8-9,13,16H,6-7,10-11H2,(H,18,20)
InChIKeyQPZSEAUXGASKPE-UHFFFAOYSA-N
XLogP1.24
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one (CID 103743104) is 5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one is O=C1CCC(CNCc2ccccc2-n2cccn2)N1.
What is the InChIKey of 5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one?
The InChIKey is QPZSEAUXGASKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15-7-6-13(18-15)11-16-10-12-4-1-2-5-14(12)19-9-3-8-17-19/h1-5,8-9,13,16H,6-7,10-11H2,(H,18,20).
What are the key properties of 5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one?
5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one has a molecular weight of 270.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 103743104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).