2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine

C13H15BrCl2N4 — CID 79780629

IUPAC2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2ncc(Cl)cc2Cl)c1Br
InChIInChI=1S/C13H15BrCl2N4/c1-3-10-12(14)11(20(2)19-10)5-9(17)13-8(16)4-7(15)6-18-13/h4,6,9H,3,5,17H2,1-2H3
InChIKeyLSTGBLZGJGNFLT-UHFFFAOYSA-N
MW378.10 g/mol
LogP3.69
Rot. Bonds4

About 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine (PubChem CID 79780629) has the molecular formula C13H15BrCl2N4 and a molecular weight of 378.10 g/mol. Its IUPAC name is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
PubChem CID79780629
Molecular FormulaC13H15BrCl2N4
Molecular Weight378.10 g/mol
Exact Mass375.99
IUPAC Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2ncc(Cl)cc2Cl)c1Br
InChIInChI=1S/C13H15BrCl2N4/c1-3-10-12(14)11(20(2)19-10)5-9(17)13-8(16)4-7(15)6-18-13/h4,6,9H,3,5,17H2,1-2H3
InChIKeyLSTGBLZGJGNFLT-UHFFFAOYSA-N
XLogP3.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.10
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79780623
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79783500
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103215560
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 104994609
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanamine
CID 104994662
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 107968447
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 104994625
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968448
1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050223
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 104994444
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 104994614
[1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 107948303

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine?
The IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine (CID 79780629) is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine is CCc1nn(C)c(CC(N)c2ncc(Cl)cc2Cl)c1Br.
What is the InChIKey of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine?
The InChIKey is LSTGBLZGJGNFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrCl2N4/c1-3-10-12(14)11(20(2)19-10)5-9(17)13-8(16)4-7(15)6-18-13/h4,6,9H,3,5,17H2,1-2H3.
What are the key properties of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine?
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine has a molecular weight of 378.10 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine is sourced from PubChem (CID 79780629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).