2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide

C11H19N3OS — CID 115593811

IUPAC2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1cc(NC(=O)CSC(C)(C)C)n[nH]1
InChIInChI=1S/C11H19N3OS/c1-5-8-6-9(14-13-8)12-10(15)7-16-11(2,3)4/h6H,5,7H2,1-4H3,(H2,12,13,14,15)
InChIKeyAYEDYVOFAFZJDK-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.44
Rot. Bonds4

About 2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide

2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide (PubChem CID 115593811) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
PubChem CID115593811
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1cc(NC(=O)CSC(C)(C)C)n[nH]1
InChIInChI=1S/C11H19N3OS/c1-5-8-6-9(14-13-8)12-10(15)7-16-11(2,3)4/h6H,5,7H2,1-4H3,(H2,12,13,14,15)
InChIKeyAYEDYVOFAFZJDK-UHFFFAOYSA-N
XLogP2.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
CID 115593810
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide
CID 48507728
N-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-2-methylsulfonylpropanamide
CID 113433748
2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
CID 104617294
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylpentanamide
CID 114875544
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-methoxyethoxy)acetamide
CID 104619698
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)pentanamide
CID 104617963
N-(5-ethyl-1H-pyrazol-3-yl)-2-piperazin-1-ylacetamide
CID 113433530
1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea
CID 104620385
N-(5-ethyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 115663310
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-hydroxyphenyl)acetamide
CID 113229818

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide (CID 115593811) is 2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide is CCc1cc(NC(=O)CSC(C)(C)C)n[nH]1.
What is the InChIKey of 2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is AYEDYVOFAFZJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-5-8-6-9(14-13-8)12-10(15)7-16-11(2,3)4/h6H,5,7H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 241.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115593811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).