5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole

C15H20N2O2S — CID 103015623

IUPAC5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole
SMILESCOC(OC)c1ccc(SCCc2ccnn2C)cc1
InChIInChI=1S/C15H20N2O2S/c1-17-13(8-10-16-17)9-11-20-14-6-4-12(5-7-14)15(18-2)19-3/h4-8,10,15H,9,11H2,1-3H3
InChIKeySLLBWBWEKQFWHQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.05
Rot. Bonds7

About 5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole

5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole (PubChem CID 103015623) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole
PubChem CID103015623
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole
SMILESCOC(OC)c1ccc(SCCc2ccnn2C)cc1
InChIInChI=1S/C15H20N2O2S/c1-17-13(8-10-16-17)9-11-20-14-6-4-12(5-7-14)15(18-2)19-3/h4-8,10,15H,9,11H2,1-3H3
InChIKeySLLBWBWEKQFWHQ-UHFFFAOYSA-N
XLogP3.05
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol
CID 103013437
1-(2,2-dimethoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]tetrazole
CID 103015619
3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030963
N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine
CID 103015658
4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]aniline
CID 103003186
5-chloro-2-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]aniline
CID 103003123
5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]aniline
CID 103003142
2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 103464752
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 104695143
2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol
CID 103006541

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole?
The IUPAC name of 5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole (CID 103015623) is 5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole.
What is the SMILES notation for 5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole?
The canonical SMILES for 5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole is COC(OC)c1ccc(SCCc2ccnn2C)cc1.
What is the InChIKey of 5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole?
The InChIKey is SLLBWBWEKQFWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-17-13(8-10-16-17)9-11-20-14-6-4-12(5-7-14)15(18-2)19-3/h4-8,10,15H,9,11H2,1-3H3.
What are the key properties of 5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole?
5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole has a molecular weight of 292.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole is sourced from PubChem (CID 103015623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).