2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine

C15H21N3S — CID 104999307

IUPAC2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine
SMILESCCc1cc(CC(N)c2ccccc2SC)n(C)n1
InChIInChI=1S/C15H21N3S/c1-4-11-9-12(18(2)17-11)10-14(16)13-7-5-6-8-15(13)19-3/h5-9,14H,4,10,16H2,1-3H3
InChIKeyXHBFHUHKFWHBFM-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.95
Rot. Bonds5

About 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine

2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine (PubChem CID 104999307) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine
PubChem CID104999307
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine
SMILESCCc1cc(CC(N)c2ccccc2SC)n(C)n1
InChIInChI=1S/C15H21N3S/c1-4-11-9-12(18(2)17-11)10-14(16)13-7-5-6-8-15(13)19-3/h5-9,14H,4,10,16H2,1-3H3
InChIKeyXHBFHUHKFWHBFM-UHFFFAOYSA-N
XLogP2.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999216
1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999266
1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999104
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530275
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-ethylphenyl)ethyl]hydrazine
CID 105317187
1-(2,6-dimethyl-4-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 107503326
2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115803857
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine
CID 105317110
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104999178
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105317184
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine (CID 104999307) is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine is CCc1cc(CC(N)c2ccccc2SC)n(C)n1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine?
The InChIKey is XHBFHUHKFWHBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-11-9-12(18(2)17-11)10-14(16)13-7-5-6-8-15(13)19-3/h5-9,14H,4,10,16H2,1-3H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine?
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 104999307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).