N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide

C17H22N4O2S — CID 95569624

IUPACN-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1cnn(C)c1)c1cccs1
InChIInChI=1S/C17H22N4O2S/c1-12(22)19-14(16-6-4-8-24-16)9-17(23)21-7-3-5-15(21)13-10-18-20(2)11-13/h4,6,8,10-11,14-15H,3,5,7,9H2,1-2H3,(H,19,22)/t14-,15+/m0/s1
InChIKeyBFECWJYLJKCTFL-LSDHHAIUSA-N
MW346.46 g/mol
LogP2.41
Rot. Bonds5

About N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide

N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide (PubChem CID 95569624) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
PubChem CID95569624
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1cnn(C)c1)c1cccs1
InChIInChI=1S/C17H22N4O2S/c1-12(22)19-14(16-6-4-8-24-16)9-17(23)21-7-3-5-15(21)13-10-18-20(2)11-13/h4,6,8,10-11,14-15H,3,5,7,9H2,1-2H3,(H,19,22)/t14-,15+/m0/s1
InChIKeyBFECWJYLJKCTFL-LSDHHAIUSA-N
XLogP2.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide 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

N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide
CID 95124338
N-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 51311903
3,3-dicyclopropyl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95348351
N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 42931938
tert-butyl (2S)-2-[(2R)-1-[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 52500324
1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 95569607
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 126855023
2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 119877957
N-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 63079022
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 43422177
2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119877956
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95348858

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The IUPAC name of N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide (CID 95569624) is N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide is CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1cnn(C)c1)c1cccs1.
What is the InChIKey of N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The InChIKey is BFECWJYLJKCTFL-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12(22)19-14(16-6-4-8-24-16)9-17(23)21-7-3-5-15(21)13-10-18-20(2)11-13/h4,6,8,10-11,14-15H,3,5,7,9H2,1-2H3,(H,19,22)/t14-,15+/m0/s1.
What are the key properties of N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide?
N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 95569624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).