1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine

C10H18BrN3OS — CID 114649769

IUPAC1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine
SMILESCNC(CSC)c1c(Br)cnn1CCOC
InChIInChI=1S/C10H18BrN3OS/c1-12-9(7-16-3)10-8(11)6-13-14(10)4-5-15-2/h6,9,12H,4-5,7H2,1-3H3
InChIKeyCBJXLPSBCZBYPM-UHFFFAOYSA-N
MW308.25 g/mol
LogP1.92
Rot. Bonds7

About 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine (PubChem CID 114649769) has the molecular formula C10H18BrN3OS and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine
PubChem CID114649769
Molecular FormulaC10H18BrN3OS
Molecular Weight308.25 g/mol
Exact Mass307.04
IUPAC Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine
SMILESCNC(CSC)c1c(Br)cnn1CCOC
InChIInChI=1S/C10H18BrN3OS/c1-12-9(7-16-3)10-8(11)6-13-14(10)4-5-15-2/h6,9,12H,4-5,7H2,1-3H3
InChIKeyCBJXLPSBCZBYPM-UHFFFAOYSA-N
XLogP1.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethoxy-N-methylbutan-1-amine
CID 105184243
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-chlorophenyl)-N-methylethanamine
CID 114647359
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cycloheptyl-N-methylethanamine
CID 105042914
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylsulfanyl-N-propylpropan-1-amine
CID 105184228
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 114649830
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202253
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxy-N-methylbutan-1-amine
CID 114653359
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-cyclopentyl-N-methylmethanamine
CID 114648229
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-bromophenyl)-N-methylmethanamine
CID 114646225
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine
CID 105207669
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine
CID 114666706
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 114648781

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine?
The IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine (CID 114649769) is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine is CNC(CSC)c1c(Br)cnn1CCOC.
What is the InChIKey of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine?
The InChIKey is CBJXLPSBCZBYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3OS/c1-12-9(7-16-3)10-8(11)6-13-14(10)4-5-15-2/h6,9,12H,4-5,7H2,1-3H3.
What are the key properties of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine?
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine has a molecular weight of 308.25 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine is sourced from PubChem (CID 114649769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).