2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C9H15N3OS — CID 47006977

IUPAC2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCSCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C9H15N3OS/c1-6-9(7(2)12(3)11-6)10-8(13)5-14-4/h5H2,1-4H3,(H,10,13)
InChIKeyJWVNSWGQEXPLNY-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.34
Rot. Bonds3

About 2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 47006977) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID47006977
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCSCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C9H15N3OS/c1-6-9(7(2)12(3)11-6)10-8(13)5-14-4/h5H2,1-4H3,(H,10,13)
InChIKeyJWVNSWGQEXPLNY-UHFFFAOYSA-N
XLogP1.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43249575
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
2-amino-3-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]sulfanylpropanoic acid
CID 43385512
2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78912800
4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 79192900
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] pyrrolidine-1-carbodithioate
CID 7705397
2-(2-methoxyethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 103606715
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60686676
2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8679994
(2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid
CID 83193828
2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908709

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 47006977) is 2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is CSCC(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is JWVNSWGQEXPLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6-9(7(2)12(3)11-6)10-8(13)5-14-4/h5H2,1-4H3,(H,10,13).
What are the key properties of 2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 213.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 47006977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).