2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol

C8H14N2O2S — CID 61385152

IUPAC2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol
SMILESCn1cc(SCCOCCO)cn1
InChIInChI=1S/C8H14N2O2S/c1-10-7-8(6-9-10)13-5-4-12-3-2-11/h6-7,11H,2-5H2,1H3
InChIKeyYDIVWFQZPYRYCR-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.52
Rot. Bonds6

About 2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol

2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol (PubChem CID 61385152) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol
PubChem CID61385152
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol
SMILESCn1cc(SCCOCCO)cn1
InChIInChI=1S/C8H14N2O2S/c1-10-7-8(6-9-10)13-5-4-12-3-2-11/h6-7,11H,2-5H2,1H3
InChIKeyYDIVWFQZPYRYCR-UHFFFAOYSA-N
XLogP0.52
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2-chloroethoxy)ethylsulfanyl]-1-methylpyrazole
CID 63665683
4-(1-methylpyrazol-4-yl)sulfanylbutanoic acid
CID 61384823
4-[2-(2,5-dimethylpyrrol-1-yl)ethylsulfanyl]-1-methylpyrazole
CID 112707186
3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol
CID 64900094
2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]benzoic acid
CID 61384856
1-(1-methylpyrazol-4-yl)sulfanylbutan-2-one
CID 62041072
1-methoxy-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-one
CID 107508323
4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide
CID 61385146
N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)sulfanylethyl]propane-1,3-diamine
CID 62580142
4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide
CID 63590297
1-methyl-4-prop-2-ynylsulfanylpyrazole
CID 61385032
N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide
CID 62498133

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol?
The IUPAC name of 2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol (CID 61385152) is 2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol.
What is the SMILES notation for 2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol?
The canonical SMILES for 2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol is Cn1cc(SCCOCCO)cn1.
What is the InChIKey of 2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol?
The InChIKey is YDIVWFQZPYRYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-10-7-8(6-9-10)13-5-4-12-3-2-11/h6-7,11H,2-5H2,1H3.
What are the key properties of 2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol?
2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol has a molecular weight of 202.28 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol is sourced from PubChem (CID 61385152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).