(3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one

C16H19ClN4O — CID 124556502

IUPAC(3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one
SMILESC[C@@H](Cn1cccn1)N[C@@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C16H19ClN4O/c1-12(11-20-9-4-8-18-20)19-14-7-10-21(16(14)22)15-6-3-2-5-13(15)17/h2-6,8-9,12,14,19H,7,10-11H2,1H3/t12-,14+/m0/s1
InChIKeyVYCUFJDLEHVTHL-GXTWGEPZSA-N
MW318.81 g/mol
LogP2.32
Rot. Bonds5

About (3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one

(3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one (PubChem CID 124556502) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is (3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one
PubChem CID124556502
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name(3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one
SMILESC[C@@H](Cn1cccn1)N[C@@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C16H19ClN4O/c1-12(11-20-9-4-8-18-20)19-14-7-10-21(16(14)22)15-6-3-2-5-13(15)17/h2-6,8-9,12,14,19H,7,10-11H2,1H3/t12-,14+/m0/s1
InChIKeyVYCUFJDLEHVTHL-GXTWGEPZSA-N
XLogP2.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one with MolForge

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Related Compounds

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CID 99643162
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide
CID 120500650
N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
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(2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide
CID 97000579
1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
CID 119128736
(3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
CID 124556757
1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 79043170
(2S)-2-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 124694500
(3S)-3-[[(3S,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-1-(2-chlorophenyl)pyrrolidin-2-one
CID 100871047
(3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one
CID 125138396
(3R)-1-(2-chlorophenyl)-3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one (CID 124556502) is (3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one is C[C@@H](Cn1cccn1)N[C@@H]1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of (3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one?
The InChIKey is VYCUFJDLEHVTHL-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-12(11-20-9-4-8-18-20)19-14-7-10-21(16(14)22)15-6-3-2-5-13(15)17/h2-6,8-9,12,14,19H,7,10-11H2,1H3/t12-,14+/m0/s1.
What are the key properties of (3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one?
(3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one has a molecular weight of 318.81 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 124556502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).