N-(2-ethylpyrazol-3-yl)-2-sulfanylacetamide

C7H11N3OS — CID 25257383

IUPACN-(2-ethylpyrazol-3-yl)-2-sulfanylacetamide
SMILESCCn1nccc1NC(=O)CS
InChIInChI=1S/C7H11N3OS/c1-2-10-6(3-4-8-10)9-7(11)5-12/h3-4,12H,2,5H2,1H3,(H,9,11)
InChIKeyDRRZFZUGQHCDMW-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.77
Rot. Bonds3

About N-(2-ethylpyrazol-3-yl)-2-sulfanylacetamide

N-(2-ethylpyrazol-3-yl)-2-sulfanylacetamide (PubChem CID 25257383) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)-2-sulfanylacetamide
PubChem CID25257383
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC NameN-(2-ethylpyrazol-3-yl)-2-sulfanylacetamide
SMILESCCn1nccc1NC(=O)CS
InChIInChI=1S/C7H11N3OS/c1-2-10-6(3-4-8-10)9-7(11)5-12/h3-4,12H,2,5H2,1H3,(H,9,11)
InChIKeyDRRZFZUGQHCDMW-UHFFFAOYSA-N
XLogP0.77
TPSA46.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-2-sulfanylacetamide?
The IUPAC name of N-(2-ethylpyrazol-3-yl)-2-sulfanylacetamide (CID 25257383) is N-(2-ethylpyrazol-3-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)-2-sulfanylacetamide is CCn1nccc1NC(=O)CS.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-2-sulfanylacetamide?
The InChIKey is DRRZFZUGQHCDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-2-10-6(3-4-8-10)9-7(11)5-12/h3-4,12H,2,5H2,1H3,(H,9,11).
What are the key properties of N-(2-ethylpyrazol-3-yl)-2-sulfanylacetamide?
N-(2-ethylpyrazol-3-yl)-2-sulfanylacetamide has a molecular weight of 185.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)-2-sulfanylacetamide is sourced from PubChem (CID 25257383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).