2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine

C15H24BrN5 — CID 105157600

IUPAC2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine
SMILESCCNC(Cc1c(Br)c(CC)nn1C)c1cnn(C)c1C
InChIInChI=1S/C15H24BrN5/c1-6-12-15(16)14(21(5)19-12)8-13(17-7-2)11-9-18-20(4)10(11)3/h9,13,17H,6-8H2,1-5H3
InChIKeyFGXAGFJJMKYPMI-UHFFFAOYSA-N
MW354.30 g/mol
LogP2.68
Rot. Bonds6

About 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine (PubChem CID 105157600) has the molecular formula C15H24BrN5 and a molecular weight of 354.30 g/mol. Its IUPAC name is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine
PubChem CID105157600
Molecular FormulaC15H24BrN5
Molecular Weight354.30 g/mol
Exact Mass353.12
IUPAC Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine
SMILESCCNC(Cc1c(Br)c(CC)nn1C)c1cnn(C)c1C
InChIInChI=1S/C15H24BrN5/c1-6-12-15(16)14(21(5)19-12)8-13(17-7-2)11-9-18-20(4)10(11)3/h9,13,17H,6-8H2,1-5H3
InChIKeyFGXAGFJJMKYPMI-UHFFFAOYSA-N
XLogP2.68
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 104994582
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 105083312
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 104994601
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 105177141
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194397
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105157592
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264709
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105159863
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-ethoxy-N-ethylbutan-2-amine
CID 105157642
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979192
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105160960
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095999

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine?
The IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine (CID 105157600) is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine?
The canonical SMILES for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine is CCNC(Cc1c(Br)c(CC)nn1C)c1cnn(C)c1C.
What is the InChIKey of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine?
The InChIKey is FGXAGFJJMKYPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN5/c1-6-12-15(16)14(21(5)19-12)8-13(17-7-2)11-9-18-20(4)10(11)3/h9,13,17H,6-8H2,1-5H3.
What are the key properties of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine?
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine has a molecular weight of 354.30 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine is sourced from PubChem (CID 105157600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).