2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine

C15H26BrN3S — CID 105159661

IUPAC2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine
SMILESCCNC(Cc1c(Br)c(C)nn1CC)C1(C)CCCS1
InChIInChI=1S/C15H26BrN3S/c1-5-17-13(15(4)8-7-9-20-15)10-12-14(16)11(3)18-19(12)6-2/h13,17H,5-10H2,1-4H3
InChIKeyGCAPONLRPMAQER-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.78
Rot. Bonds6

About 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine (PubChem CID 105159661) has the molecular formula C15H26BrN3S and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine
PubChem CID105159661
Molecular FormulaC15H26BrN3S
Molecular Weight360.37 g/mol
Exact Mass359.10
IUPAC Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine
SMILESCCNC(Cc1c(Br)c(C)nn1CC)C1(C)CCCS1
InChIInChI=1S/C15H26BrN3S/c1-5-17-13(15(4)8-7-9-20-15)10-12-14(16)11(3)18-19(12)6-2/h13,17H,5-10H2,1-4H3
InChIKeyGCAPONLRPMAQER-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 104998298
2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105162267
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80722016
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanol
CID 105109515
N-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105157626
[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]thiolan-2-yl]methanamine
CID 83173761
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine
CID 105275656
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]thiolane-2-carboxylic acid
CID 83173593
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79966412
1-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103451929
N-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105161379
4-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346602

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine (CID 105159661) is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine is CCNC(Cc1c(Br)c(C)nn1CC)C1(C)CCCS1.
What is the InChIKey of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine?
The InChIKey is GCAPONLRPMAQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3S/c1-5-17-13(15(4)8-7-9-20-15)10-12-14(16)11(3)18-19(12)6-2/h13,17H,5-10H2,1-4H3.
What are the key properties of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine?
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine has a molecular weight of 360.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine is sourced from PubChem (CID 105159661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).