Ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane

Name: Ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₂₂N₂OS — CID 153353020

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane

SMILESCCS(C)(C)c1ccnn1C1CCCCO1

InChIInChI=1S/C12H22N2OS/c1-4-16(2,3)12-8-9-13-14(12)11-7-5-6-10-15-11/h8-9,11H,4-7,10H2,1-3H3

InChIKeyGDWXYMSFNNHIDY-UHFFFAOYSA-N

MW242.39 g/mol

LogP3.03

Rot. Bonds3

About Ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane

Ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane (PubChem CID 153353020) has the molecular formula C₁₂H₂₂N₂OS and a molecular weight of 242.39 g/mol. Its IUPAC name is ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane.

Molecular Properties

Compound Name	Ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane
PubChem CID	153353020
Molecular Formula	C₁₂H₂₂N₂OS
Molecular Weight	242.39 g/mol
Exact Mass	242.15
IUPAC Name	ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane
SMILES	CCS(C)(C)c1ccnn1C1CCCCO1
InChI	InChI=1S/C12H22N2OS/c1-4-16(2,3)12-8-9-13-14(12)11-7-5-6-10-15-11/h8-9,11H,4-7,10H2,1-3H3
InChIKey	GDWXYMSFNNHIDY-UHFFFAOYSA-N
XLogP	3.03
TPSA	27.05 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	242.39
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane?

The IUPAC name of Ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane (CID 153353020) is ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane.

What is the SMILES notation for Ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane?

The canonical SMILES for Ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane is CCS(C)(C)c1ccnn1C1CCCCO1.

What is the InChIKey of Ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane?

The InChIKey is GDWXYMSFNNHIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-16(2,3)12-8-9-13-14(12)11-7-5-6-10-15-11/h8-9,11H,4-7,10H2,1-3H3.

What are the key properties of Ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane?

Ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane has a molecular weight of 242.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane is sourced from PubChem (CID 153353020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 153353020 — identifiers, structure, computed properties (public domain)

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