2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane

C9H17BrN2OS — CID 170265239

IUPAC2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane
SMILESCS(C)(C)CCOCn1cc(Br)cn1
InChIInChI=1S/C9H17BrN2OS/c1-14(2,3)5-4-13-8-12-7-9(10)6-11-12/h6-7H,4-5,8H2,1-3H3
InChIKeyCUSQAHUUNVOEQO-UHFFFAOYSA-N
MW281.22 g/mol
LogP2.31
Rot. Bonds5

About 2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane

2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane (PubChem CID 170265239) has the molecular formula C9H17BrN2OS and a molecular weight of 281.22 g/mol. Its IUPAC name is 2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane
PubChem CID170265239
Molecular FormulaC9H17BrN2OS
Molecular Weight281.22 g/mol
Exact Mass280.02
IUPAC Name2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane
SMILESCS(C)(C)CCOCn1cc(Br)cn1
InChIInChI=1S/C9H17BrN2OS/c1-14(2,3)5-4-13-8-12-7-9(10)6-11-12/h6-7H,4-5,8H2,1-3H3
InChIKeyCUSQAHUUNVOEQO-UHFFFAOYSA-N
XLogP2.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane 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

2-[(4-ethynylpyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane
CID 134251199
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855
4-[5-bromo-3-[1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazol-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-2-methylbutan-2-ol
CID 134545929
2-[[4-[5-bromo-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane
CID 134545992
2-[(5-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane
CID 155096535
2-[(4-chloroimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane
CID 138712713
4-bromo-1-(2-methoxypropyl)pyrazole
CID 66760407
1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol
CID 90030095
4-bromo-1-(2,2-diethoxyethyl)pyrazole
CID 19616899
(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
ethyl 2-bromo-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazole-4-carboxylate
CID 139408882
2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane
CID 118030481

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane?
The IUPAC name of 2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane (CID 170265239) is 2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane.
What is the SMILES notation for 2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane?
The canonical SMILES for 2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane is CS(C)(C)CCOCn1cc(Br)cn1.
What is the InChIKey of 2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane?
The InChIKey is CUSQAHUUNVOEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN2OS/c1-14(2,3)5-4-13-8-12-7-9(10)6-11-12/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane?
2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane has a molecular weight of 281.22 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromopyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane is sourced from PubChem (CID 170265239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).