N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetamide

C20H25N3O2S — CID 46985249

IUPACN-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetamide
SMILESCCC(CC)n1ncc(C)c1NC(=O)CC1=C(c2cccs2)CCC1=O
InChIInChI=1S/C20H25N3O2S/c1-4-14(5-2)23-20(13(3)12-21-23)22-19(25)11-16-15(8-9-17(16)24)18-7-6-10-26-18/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3,(H,22,25)
InChIKeyLLWUWZGIFKCJFB-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.76
Rot. Bonds7

About N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetamide

N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetamide (PubChem CID 46985249) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetamide
PubChem CID46985249
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetamide
SMILESCCC(CC)n1ncc(C)c1NC(=O)CC1=C(c2cccs2)CCC1=O
InChIInChI=1S/C20H25N3O2S/c1-4-14(5-2)23-20(13(3)12-21-23)22-19(25)11-16-15(8-9-17(16)24)18-7-6-10-26-18/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3,(H,22,25)
InChIKeyLLWUWZGIFKCJFB-UHFFFAOYSA-N
XLogP4.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 20995860
ethyl 2-[(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetamide?
The IUPAC name of N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetamide (CID 46985249) is N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetamide is CCC(CC)n1ncc(C)c1NC(=O)CC1=C(c2cccs2)CCC1=O.
What is the InChIKey of N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetamide?
The InChIKey is LLWUWZGIFKCJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-4-14(5-2)23-20(13(3)12-21-23)22-19(25)11-16-15(8-9-17(16)24)18-7-6-10-26-18/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3,(H,22,25).
What are the key properties of N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetamide?
N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetamide has a molecular weight of 371.51 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetamide is sourced from PubChem (CID 46985249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).