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

C16H28N4O3S — CID 72899125

IUPAC2-(4-methylpyrazol-1-yl)-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)Cn1cc(C)cn1
InChIInChI=1S/C16H28N4O3S/c1-4-5-14-10-19(6-7-24(3,22)23)11-15(14)18-16(21)12-20-9-13(2)8-17-20/h8-9,14-15H,4-7,10-12H2,1-3H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyNXDVTUWINPUJMN-GJZGRUSLSA-N
MW356.49 g/mol
LogP0.45
Rot. Bonds8

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

2-(4-methylpyrazol-1-yl)-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 72899125) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide
PubChem CID72899125
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name2-(4-methylpyrazol-1-yl)-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)Cn1cc(C)cn1
InChIInChI=1S/C16H28N4O3S/c1-4-5-14-10-19(6-7-24(3,22)23)11-15(14)18-16(21)12-20-9-13(2)8-17-20/h8-9,14-15H,4-7,10-12H2,1-3H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyNXDVTUWINPUJMN-GJZGRUSLSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide (CID 72899125) is 2-(4-methylpyrazol-1-yl)-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide is CCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)Cn1cc(C)cn1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is NXDVTUWINPUJMN-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-4-5-14-10-19(6-7-24(3,22)23)11-15(14)18-16(21)12-20-9-13(2)8-17-20/h8-9,14-15H,4-7,10-12H2,1-3H3,(H,18,21)/t14-,15-/m0/s1.
What are the key properties of 2-(4-methylpyrazol-1-yl)-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide?
2-(4-methylpyrazol-1-yl)-N-[(3R,4S)-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-(4-methylpyrazol-1-yl)-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72899125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).