trimethyl-[2-[(5-methylpyrazol-1-yl)methoxy]ethyl]-λ4-sulfane

C10H20N2OS — CID 146288254

IUPACtrimethyl-[2-[(5-methylpyrazol-1-yl)methoxy]ethyl]-λ4-sulfane
SMILESCc1ccnn1COCCS(C)(C)C
InChIInChI=1S/C10H20N2OS/c1-10-5-6-11-12(10)9-13-7-8-14(2,3)4/h5-6H,7-9H2,1-4H3
InChIKeyCZXZFISKMRBESU-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.86
Rot. Bonds5

About trimethyl-[2-[(5-methylpyrazol-1-yl)methoxy]ethyl]-λ4-sulfane

trimethyl-[2-[(5-methylpyrazol-1-yl)methoxy]ethyl]-λ4-sulfane (PubChem CID 146288254) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is trimethyl-[2-[(5-methylpyrazol-1-yl)methoxy]ethyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[2-[(5-methylpyrazol-1-yl)methoxy]ethyl]-λ4-sulfane
PubChem CID146288254
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Nametrimethyl-[2-[(5-methylpyrazol-1-yl)methoxy]ethyl]-λ4-sulfane
SMILESCc1ccnn1COCCS(C)(C)C
InChIInChI=1S/C10H20N2OS/c1-10-5-6-11-12(10)9-13-7-8-14(2,3)4/h5-6H,7-9H2,1-4H3
InChIKeyCZXZFISKMRBESU-UHFFFAOYSA-N
XLogP1.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid
CID 655803
[2-(5-Methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid
CID 3127257
3-[[(3S)-oxolan-3-yl]sulfonylmethyl]-1-propan-2-ylpyrazole
CID 164633327
1-(Ethoxymethyl)-3-(trifluoromethyl)pyrazole
CID 91463534
1-(Ethoxymethyl)-5-(trifluoromethyl)pyrazole
CID 91560691
Ethyl 5-(4,4-difluorobut-3-enylsulfanylmethyl)pyrazole-1-carboxylate
CID 173336273
1-(3-Methoxypropyl)-5-(trifluoromethyl)pyrazole
CID 176065816
5-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazole
CID 64452956
3-Methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole
CID 106706296
5-Methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole
CID 106706297
1-(3-Methylsulfanylpropyl)-3-(trifluoromethyl)pyrazole
CID 115650981
1-(2-Ethylsulfanylethyl)-3-(trifluoromethyl)pyrazole
CID 115881911

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(5-methylpyrazol-1-yl)methoxy]ethyl]-λ4-sulfane?
The IUPAC name of trimethyl-[2-[(5-methylpyrazol-1-yl)methoxy]ethyl]-λ4-sulfane (CID 146288254) is trimethyl-[2-[(5-methylpyrazol-1-yl)methoxy]ethyl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[2-[(5-methylpyrazol-1-yl)methoxy]ethyl]-λ4-sulfane?
The canonical SMILES for trimethyl-[2-[(5-methylpyrazol-1-yl)methoxy]ethyl]-λ4-sulfane is Cc1ccnn1COCCS(C)(C)C.
What is the InChIKey of trimethyl-[2-[(5-methylpyrazol-1-yl)methoxy]ethyl]-λ4-sulfane?
The InChIKey is CZXZFISKMRBESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-10-5-6-11-12(10)9-13-7-8-14(2,3)4/h5-6H,7-9H2,1-4H3.
What are the key properties of trimethyl-[2-[(5-methylpyrazol-1-yl)methoxy]ethyl]-λ4-sulfane?
trimethyl-[2-[(5-methylpyrazol-1-yl)methoxy]ethyl]-λ4-sulfane has a molecular weight of 216.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(5-methylpyrazol-1-yl)methoxy]ethyl]-λ4-sulfane is sourced from PubChem (CID 146288254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).