2-tert-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C11H19N3OS — CID 43398207

IUPAC2-tert-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CSC(C)(C)C
InChIInChI=1S/C11H19N3OS/c1-7-10(8(2)14-13-7)12-9(15)6-16-11(3,4)5/h6H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyIFRIOQIYOPUOIP-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.50
Rot. Bonds3

About 2-tert-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-tert-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 43398207) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID43398207
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-tert-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CSC(C)(C)C
InChIInChI=1S/C11H19N3OS/c1-7-10(8(2)14-13-7)12-9(15)6-16-11(3,4)5/h6H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyIFRIOQIYOPUOIP-UHFFFAOYSA-N
XLogP2.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 43398207) is 2-tert-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1NC(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is IFRIOQIYOPUOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7-10(8(2)14-13-7)12-9(15)6-16-11(3,4)5/h6H2,1-5H3,(H,12,15)(H,13,14).
What are the key properties of 2-tert-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-tert-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 241.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43398207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).