2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide

C6H9N3OS — CID 43429726

IUPAC2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide
SMILESCSCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C6H9N3OS/c1-11-4-6(10)9-5-2-7-8-3-5/h2-3H,4H2,1H3,(H,7,8)(H,9,10)
InChIKeyIRJPAPOCPODHJF-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.71
Rot. Bonds3

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

2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 43429726) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide
PubChem CID43429726
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC Name2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide
SMILESCSCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C6H9N3OS/c1-11-4-6(10)9-5-2-7-8-3-5/h2-3H,4H2,1H3,(H,7,8)(H,9,10)
InChIKeyIRJPAPOCPODHJF-UHFFFAOYSA-N
XLogP0.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Acetylaminopyrazole
CID 12346894
N-(1H-pyrazol-4-yl)but-2-ynamide hydrochloride
CID 155820287
N-(1H-pyrazol-4-yl)-4-(3-sulfanylpropanoylamino)butanamide
CID 177681374
3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 54592830
2,2,2-Trifluoro-N-(1H-pyrazol-4-yl)acetamide
CID 60999972
(Acetylamino)iodopyrazole
CID 129814460
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
3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide
CID 43430688
N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 45816287
2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide
CID 103514029

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide (CID 43429726) is 2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide is CSCC(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is IRJPAPOCPODHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-11-4-6(10)9-5-2-7-8-3-5/h2-3H,4H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide?
2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 171.23 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43429726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).