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

C17H22N4O — CID 94184899

IUPAC1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
SMILESC[C@@H](CN1CCCC1=O)NCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C17H22N4O/c1-13(12-21-9-5-8-16(21)22)18-10-15-11-19-20-17(15)14-6-3-2-4-7-14/h2-4,6-7,11,13,18H,5,8-10,12H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyDPVIYFXYWHULIM-ZDUSSCGKSA-N
MW298.39 g/mol
LogP2.18
Rot. Bonds6

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

1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 94184899) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
PubChem CID94184899
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
SMILESC[C@@H](CN1CCCC1=O)NCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C17H22N4O/c1-13(12-21-9-5-8-16(21)22)18-10-15-11-19-20-17(15)14-6-3-2-4-7-14/h2-4,6-7,11,13,18H,5,8-10,12H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyDPVIYFXYWHULIM-ZDUSSCGKSA-N
XLogP2.18
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine
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1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 60936413
1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 55114701
1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60961488
1-[(2S)-2-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
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CID 62758526
1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 103943702
1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 54977127
1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one (CID 94184899) is 1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one is C[C@@H](CN1CCCC1=O)NCc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is DPVIYFXYWHULIM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13(12-21-9-5-8-16(21)22)18-10-15-11-19-20-17(15)14-6-3-2-4-7-14/h2-4,6-7,11,13,18H,5,8-10,12H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one?
1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 94184899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).