2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide

C9H15N3OS — CID 19525804

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCCS)n1
InChIInChI=1S/C9H15N3OS/c1-7-5-8(2)12(11-7)6-9(13)10-3-4-14/h5,14H,3-4,6H2,1-2H3,(H,10,13)
InChIKeyFONOTROUVKRMNS-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.55
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide (PubChem CID 19525804) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
PubChem CID19525804
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCCS)n1
InChIInChI=1S/C9H15N3OS/c1-7-5-8(2)12(11-7)6-9(13)10-3-4-14/h5,14H,3-4,6H2,1-2H3,(H,10,13)
InChIKeyFONOTROUVKRMNS-UHFFFAOYSA-N
XLogP0.55
TPSA46.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 62659650
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)acetamide
CID 19521875
2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide
CID 156761758
N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43648264
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
N-(2-aminopropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63733136
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037208
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81368159
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 113462775
N-(2,3-dihydroxy-2-methylpropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66170031

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide (CID 19525804) is 2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide is Cc1cc(C)n(CC(=O)NCCS)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide?
The InChIKey is FONOTROUVKRMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-5-8(2)12(11-7)6-9(13)10-3-4-14/h5,14H,3-4,6H2,1-2H3,(H,10,13).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide has a molecular weight of 213.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide is sourced from PubChem (CID 19525804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).