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

C22H28N4O2 — CID 128966649

IUPACN-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide
SMILESCN1C(=O)C[C@@H](CNC(=O)CC2CCC2)[C@@H]1c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C22H28N4O2/c1-25-21(28)11-18(12-23-20(27)10-16-8-5-9-16)22(25)19-13-24-26(15-19)14-17-6-3-2-4-7-17/h2-4,6-7,13,15-16,18,22H,5,8-12,14H2,1H3,(H,23,27)/t18-,22+/m0/s1
InChIKeyLFZBFSLUBCSJQR-PGRDOPGGSA-N
MW380.49 g/mol
LogP2.76
Rot. Bonds7

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

N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide (PubChem CID 128966649) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide
PubChem CID128966649
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide
SMILESCN1C(=O)C[C@@H](CNC(=O)CC2CCC2)[C@@H]1c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C22H28N4O2/c1-25-21(28)11-18(12-23-20(27)10-16-8-5-9-16)22(25)19-13-24-26(15-19)14-17-6-3-2-4-7-17/h2-4,6-7,13,15-16,18,22H,5,8-12,14H2,1H3,(H,23,27)/t18-,22+/m0/s1
InChIKeyLFZBFSLUBCSJQR-PGRDOPGGSA-N
XLogP2.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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]-5-methylfuran-2-carboxamide
CID 128966629
(4S,5R)-5-(1-benzylpyrazol-4-yl)-1-methyl-4-[[(1-methylpyrrol-3-yl)methylamino]methyl]pyrrolidin-2-one
CID 128994461
(4R,5S)-5-(1-benzylpyrazol-4-yl)-4-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-1-methylpyrrolidin-2-one
CID 166384742
2-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methylamino]-2-phenylacetamide
CID 128968415
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
N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 128966654
(4S,5R)-4-[[[(1S,2R)-2-benzylcyclopentyl]amino]methyl]-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129337442
N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide
CID 97261974
N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
CID 97156487
(4S,5R)-4-[[(2-cyclopentyloxyphenyl)methylamino]methyl]-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129005138
N-[(1-benzylpyrazol-4-yl)methyl]-1-(thian-4-yl)methanamine
CID 115626030

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide?
The IUPAC name of N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide (CID 128966649) is N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide.
What is the SMILES notation for N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide?
The canonical SMILES for N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide is CN1C(=O)C[C@@H](CNC(=O)CC2CCC2)[C@@H]1c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide?
The InChIKey is LFZBFSLUBCSJQR-PGRDOPGGSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-25-21(28)11-18(12-23-20(27)10-16-8-5-9-16)22(25)19-13-24-26(15-19)14-17-6-3-2-4-7-17/h2-4,6-7,13,15-16,18,22H,5,8-12,14H2,1H3,(H,23,27)/t18-,22+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide?
N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide has a molecular weight of 380.49 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide is sourced from PubChem (CID 128966649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).