2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide

C24H27N5O2 — CID 128968415

IUPAC2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide
SMILESCN1C(=O)C[C@@H](CNC(C(N)=O)c2ccccc2)[C@@H]1c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H27N5O2/c1-28-21(30)12-19(13-26-22(24(25)31)18-10-6-3-7-11-18)23(28)20-14-27-29(16-20)15-17-8-4-2-5-9-17/h2-11,14,16,19,22-23,26H,12-13,15H2,1H3,(H2,25,31)/t19-,22?,23+/m0/s1
InChIKeyYYMXNLOPWBDAGK-IQWVOLIVSA-N
MW417.51 g/mol
LogP2.27
Rot. Bonds8

About 2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide

2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide (PubChem CID 128968415) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide
PubChem CID128968415
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide
SMILESCN1C(=O)C[C@@H](CNC(C(N)=O)c2ccccc2)[C@@H]1c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H27N5O2/c1-28-21(30)12-19(13-26-22(24(25)31)18-10-6-3-7-11-18)23(28)20-14-27-29(16-20)15-17-8-4-2-5-9-17/h2-11,14,16,19,22-23,26H,12-13,15H2,1H3,(H2,25,31)/t19-,22?,23+/m0/s1
InChIKeyYYMXNLOPWBDAGK-IQWVOLIVSA-N
XLogP2.27
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-5-methylfuran-2-carboxamide
CID 128966629
1-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dimethylguanidine
CID 120727833
N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide
CID 128966649
(4S,5R)-5-(1-benzylpyrazol-4-yl)-1-methyl-4-[[(1-methylpyrrol-3-yl)methylamino]methyl]pyrrolidin-2-one
CID 128994461
N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 128966654
(4R,5S)-5-(1-benzylpyrazol-4-yl)-4-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-1-methylpyrrolidin-2-one
CID 166384742
N-[[(2S,3R)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-but-3-ynyldiazirin-3-yl)propanamide
CID 166423322
2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide
CID 75507076
(4S,5R)-4-[[[(1S,2R)-2-benzylcyclopentyl]amino]methyl]-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129337442
(2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide
CID 94562119
(4S,5R)-1-tert-butyl-5-[1-(2-methoxyethyl)pyrazol-4-yl]-4-[[[(1S)-1-phenylpropyl]amino]methyl]pyrrolidin-2-one
CID 129324792
N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide
CID 97261974

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide?
The IUPAC name of 2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide (CID 128968415) is 2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide.
What is the SMILES notation for 2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide?
The canonical SMILES for 2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide is CN1C(=O)C[C@@H](CNC(C(N)=O)c2ccccc2)[C@@H]1c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide?
The InChIKey is YYMXNLOPWBDAGK-IQWVOLIVSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-28-21(30)12-19(13-26-22(24(25)31)18-10-6-3-7-11-18)23(28)20-14-27-29(16-20)15-17-8-4-2-5-9-17/h2-11,14,16,19,22-23,26H,12-13,15H2,1H3,(H2,25,31)/t19-,22?,23+/m0/s1.
What are the key properties of 2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide?
2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide has a molecular weight of 417.51 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide is sourced from PubChem (CID 128968415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).