2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide

C8H13N3OS — CID 43429817

IUPAC2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide
SMILESCC(C)SCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H13N3OS/c1-6(2)13-5-8(12)11-7-3-9-10-4-7/h3-4,6H,5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyYKIGXHWVZPUXCW-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.49
Rot. Bonds4

About 2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide

2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 43429817) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide
PubChem CID43429817
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide
SMILESCC(C)SCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H13N3OS/c1-6(2)13-5-8(12)11-7-3-9-10-4-7/h3-4,6H,5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyYKIGXHWVZPUXCW-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12346894
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3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
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2,2,2-Trifluoro-N-(1H-pyrazol-4-yl)acetamide
CID 60999972
N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
CID 38016277
(2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 38016283
(2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 38016288
N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 45816287
2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide
CID 103514029
N-(1H-pyrazol-4-yl)but-2-ynamide
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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide (CID 43429817) is 2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide is CC(C)SCC(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is YKIGXHWVZPUXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6(2)13-5-8(12)11-7-3-9-10-4-7/h3-4,6H,5H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide?
2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 199.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43429817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).