N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide

C12H20N4OS — CID 114628039

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCCc1cn[nH]c1NC(=O)CSC1CCNCC1
InChIInChI=1S/C12H20N4OS/c1-2-9-7-14-16-12(9)15-11(17)8-18-10-3-5-13-6-4-10/h7,10,13H,2-6,8H2,1H3,(H2,14,15,16,17)
InChIKeyKFLUCNGMPLIVLZ-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.40
Rot. Bonds5

About N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide

N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114628039) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114628039
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCCc1cn[nH]c1NC(=O)CSC1CCNCC1
InChIInChI=1S/C12H20N4OS/c1-2-9-7-14-16-12(9)15-11(17)8-18-10-3-5-13-6-4-10/h7,10,13H,2-6,8H2,1H3,(H2,14,15,16,17)
InChIKeyKFLUCNGMPLIVLZ-UHFFFAOYSA-N
XLogP1.40
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide
CID 115680788
2-cyclobutyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 103750288
N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 82181207
N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626374
N-(4-ethyl-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 104619200
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114627325
2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide
CID 114626669
2-(4-aminopiperidin-1-yl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 104619348
N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626846
N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627796
N-(6-chloro-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627925
N-(4-ethyl-1H-pyrazol-5-yl)-3-piperidin-2-ylpropanamide
CID 104619290

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide (CID 114628039) is N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide is CCc1cn[nH]c1NC(=O)CSC1CCNCC1.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is KFLUCNGMPLIVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-9-7-14-16-12(9)15-11(17)8-18-10-3-5-13-6-4-10/h7,10,13H,2-6,8H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide?
N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 268.39 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114628039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).