N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

C15H23BrN4S — CID 105159702

IUPACN-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Br)c(C)nn1CC)c1scnc1C
InChIInChI=1S/C15H23BrN4S/c1-5-7-17-12(15-11(4)18-9-21-15)8-13-14(16)10(3)19-20(13)6-2/h9,12,17H,5-8H2,1-4H3
InChIKeyARKCTOQKRIAWIZ-UHFFFAOYSA-N
MW371.35 g/mol
LogP4.02
Rot. Bonds7

About N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 105159702) has the molecular formula C15H23BrN4S and a molecular weight of 371.35 g/mol. Its IUPAC name is N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID105159702
Molecular FormulaC15H23BrN4S
Molecular Weight371.35 g/mol
Exact Mass370.08
IUPAC NameN-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Br)c(C)nn1CC)c1scnc1C
InChIInChI=1S/C15H23BrN4S/c1-5-7-17-12(15-11(4)18-9-21-15)8-13-14(16)10(3)19-20(13)6-2/h9,12,17H,5-8H2,1-4H3
InChIKeyARKCTOQKRIAWIZ-UHFFFAOYSA-N
XLogP4.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 104998119
N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105158823
N-[2-(2-bromophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105087531
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105161053
N-[2-(4-ethylphenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105101589
N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105180346
N-[2-(5-bromo-3-pyridinyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105181205
N-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 104998837
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 115649886
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propyloctan-2-amine
CID 104998184
N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 105000467
N-[2-ethoxy-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105165095

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 105159702) is N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1c(Br)c(C)nn1CC)c1scnc1C.
What is the InChIKey of N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is ARKCTOQKRIAWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4S/c1-5-7-17-12(15-11(4)18-9-21-15)8-13-14(16)10(3)19-20(13)6-2/h9,12,17H,5-8H2,1-4H3.
What are the key properties of N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 371.35 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105159702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).