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

C8H13N3OS — CID 115680788

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide
SMILESCCc1cn[nH]c1NC(=O)CSC
InChIInChI=1S/C8H13N3OS/c1-3-6-4-9-11-8(6)10-7(12)5-13-2/h4H,3,5H2,1-2H3,(H2,9,10,11,12)
InChIKeyLWYJFTAAAWCUQW-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.27
Rot. Bonds4

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

N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide (PubChem CID 115680788) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide
PubChem CID115680788
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide
SMILESCCc1cn[nH]c1NC(=O)CSC
InChIInChI=1S/C8H13N3OS/c1-3-6-4-9-11-8(6)10-7(12)5-13-2/h4H,3,5H2,1-2H3,(H2,9,10,11,12)
InChIKeyLWYJFTAAAWCUQW-UHFFFAOYSA-N
XLogP1.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 112698671
3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 104617783
N-(4-ethyl-1H-pyrazol-5-yl)-2-propan-2-yloxyacetamide
CID 115692319
N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114628039
5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide
CID 104617778
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide
CID 113251561
2-cyclobutyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 103750288
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 112697373
(2S)-2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylsulfanylbutanamide
CID 104619288
2-(5-amino-2-oxo-1-pyridinyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 104616614
2-(4-aminopiperidin-1-yl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 104619348
N-(4-ethyl-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
CID 115680720

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide (CID 115680788) is N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide is CCc1cn[nH]c1NC(=O)CSC.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide?
The InChIKey is LWYJFTAAAWCUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-3-6-4-9-11-8(6)10-7(12)5-13-2/h4H,3,5H2,1-2H3,(H2,9,10,11,12).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide?
N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide has a molecular weight of 199.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide is sourced from PubChem (CID 115680788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).