1-methyl-3-(1-methylsulfanylethyl)pyrazole

C7H12N2S — CID 138460770

IUPAC1-methyl-3-(1-methylsulfanylethyl)pyrazole
SMILESCSC(C)c1ccn(C)n1
InChIInChI=1S/C7H12N2S/c1-6(10-3)7-4-5-9(2)8-7/h4-6H,1-3H3
InChIKeySAGQEZXMHZGELS-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.84
Rot. Bonds2

About 1-methyl-3-(1-methylsulfanylethyl)pyrazole

1-methyl-3-(1-methylsulfanylethyl)pyrazole (PubChem CID 138460770) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-methyl-3-(1-methylsulfanylethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-(1-methylsulfanylethyl)pyrazole
PubChem CID138460770
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name1-methyl-3-(1-methylsulfanylethyl)pyrazole
SMILESCSC(C)c1ccn(C)n1
InChIInChI=1S/C7H12N2S/c1-6(10-3)7-4-5-9(2)8-7/h4-6H,1-3H3
InChIKeySAGQEZXMHZGELS-UHFFFAOYSA-N
XLogP1.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-but-3-en-2-yl-1-methylpyrazole
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2-amino-1-(1-methylpyrazol-3-yl)propan-1-ol
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CID 105228546
N-methyl-1-(1-methylpyrazol-3-yl)heptan-1-amine
CID 65200418
2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol
CID 103130607
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(1-methylpyrazol-3-yl)-phenylmethanamine
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CID 146337355

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylsulfanylethyl)pyrazole?
The IUPAC name of 1-methyl-3-(1-methylsulfanylethyl)pyrazole (CID 138460770) is 1-methyl-3-(1-methylsulfanylethyl)pyrazole.
What is the SMILES notation for 1-methyl-3-(1-methylsulfanylethyl)pyrazole?
The canonical SMILES for 1-methyl-3-(1-methylsulfanylethyl)pyrazole is CSC(C)c1ccn(C)n1.
What is the InChIKey of 1-methyl-3-(1-methylsulfanylethyl)pyrazole?
The InChIKey is SAGQEZXMHZGELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-6(10-3)7-4-5-9(2)8-7/h4-6H,1-3H3.
What are the key properties of 1-methyl-3-(1-methylsulfanylethyl)pyrazole?
1-methyl-3-(1-methylsulfanylethyl)pyrazole has a molecular weight of 156.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylsulfanylethyl)pyrazole is sourced from PubChem (CID 138460770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).