1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine

C14H26BrN5 — CID 114659630

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
SMILESCCNC(CC1CN(C)CCN1C)c1c(Br)cnn1C
InChIInChI=1S/C14H26BrN5/c1-5-16-13(14-12(15)9-17-20(14)4)8-11-10-18(2)6-7-19(11)3/h9,11,13,16H,5-8,10H2,1-4H3
InChIKeyLMOKLQOHKWWHLM-UHFFFAOYSA-N
MW344.30 g/mol
LogP1.47
Rot. Bonds5

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine

1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine (PubChem CID 114659630) has the molecular formula C14H26BrN5 and a molecular weight of 344.30 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
PubChem CID114659630
Molecular FormulaC14H26BrN5
Molecular Weight344.30 g/mol
Exact Mass343.14
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
SMILESCCNC(CC1CN(C)CCN1C)c1c(Br)cnn1C
InChIInChI=1S/C14H26BrN5/c1-5-16-13(14-12(15)9-17-20(14)4)8-11-10-18(2)6-7-19(11)3/h9,11,13,16H,5-8,10H2,1-4H3
InChIKeyLMOKLQOHKWWHLM-UHFFFAOYSA-N
XLogP1.47
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 114659633
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine
CID 114657465
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 114659492
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 114659608
N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
CID 114657765
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 114657756
2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115415525
1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
CID 114647947
(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol
CID 114644712
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-2-methylsulfonylethanamine
CID 105054166
1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415518
1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 106654179

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine (CID 114659630) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine is CCNC(CC1CN(C)CCN1C)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The InChIKey is LMOKLQOHKWWHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN5/c1-5-16-13(14-12(15)9-17-20(14)4)8-11-10-18(2)6-7-19(11)3/h9,11,13,16H,5-8,10H2,1-4H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine has a molecular weight of 344.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine is sourced from PubChem (CID 114659630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).