2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide

C16H28N4O3S — CID 133117836

IUPAC2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)Cn1nccc1C
InChIInChI=1S/C16H28N4O3S/c1-4-5-14-10-19(8-9-24(3,22)23)11-15(14)18-16(21)12-20-13(2)6-7-17-20/h6-7,14-15H,4-5,8-12H2,1-3H3,(H,18,21)/t14-,15-/m1/s1
InChIKeyGLIANQSURYCUNG-HUUCEWRRSA-N
MW356.49 g/mol
LogP0.45
Rot. Bonds8

About 2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide

2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 133117836) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide
PubChem CID133117836
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)Cn1nccc1C
InChIInChI=1S/C16H28N4O3S/c1-4-5-14-10-19(8-9-24(3,22)23)11-15(14)18-16(21)12-20-13(2)6-7-17-20/h6-7,14-15H,4-5,8-12H2,1-3H3,(H,18,21)/t14-,15-/m1/s1
InChIKeyGLIANQSURYCUNG-HUUCEWRRSA-N
XLogP0.45
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 133114350
1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
CID 154899016
1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride
CID 154897477
N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 86283433
N-[(3S,4R)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 133135547
N-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide
CID 133112436
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide
CID 72885800
N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide
CID 91760979
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 154897661
2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide
CID 86283501
N-[(3R,4S)-1-(2-hydroxyethyl)-4-propylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 72930062
N-[(3R,4S)-1-[(3-methyl-2-pyridinyl)methyl]-4-propylpyrrolidin-3-yl]-2-methylsulfanylacetamide
CID 72839443

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide (CID 133117836) is 2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)Cn1nccc1C.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is GLIANQSURYCUNG-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-4-5-14-10-19(8-9-24(3,22)23)11-15(14)18-16(21)12-20-13(2)6-7-17-20/h6-7,14-15H,4-5,8-12H2,1-3H3,(H,18,21)/t14-,15-/m1/s1.
What are the key properties of 2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide?
2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 356.49 g/mol, XLogP of 0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 133117836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).