1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine

C10H17BrN4 — CID 83904098

IUPAC1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine
SMILESCn1nc(CCN2CCNCC2)cc1Br
InChIInChI=1S/C10H17BrN4/c1-14-10(11)8-9(13-14)2-5-15-6-3-12-4-7-15/h8,12H,2-7H2,1H3
InChIKeyBHEKMSBIOGPBRH-UHFFFAOYSA-N
MW273.18 g/mol
LogP0.63
Rot. Bonds3

About 1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine

1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine (PubChem CID 83904098) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is 1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine
PubChem CID83904098
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC Name1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine
SMILESCn1nc(CCN2CCNCC2)cc1Br
InChIInChI=1S/C10H17BrN4/c1-14-10(11)8-9(13-14)2-5-15-6-3-12-4-7-15/h8,12H,2-7H2,1H3
InChIKeyBHEKMSBIOGPBRH-UHFFFAOYSA-N
XLogP0.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4,6-dimethyl-2-(2-piperazin-1-ylethyl)pyrimidine
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2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
1-[2-(5-methyl-2-pyridinyl)ethyl]piperazine
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1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine
CID 82667448
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
1-[2-(3-bromophenyl)ethyl]piperazine
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1-[2-(1,3-dimethylpyrazol-4-yl)ethyl]piperazine
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CID 15391878

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine (CID 83904098) is 1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine is Cn1nc(CCN2CCNCC2)cc1Br.
What is the InChIKey of 1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine?
The InChIKey is BHEKMSBIOGPBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-14-10(11)8-9(13-14)2-5-15-6-3-12-4-7-15/h8,12H,2-7H2,1H3.
What are the key properties of 1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine?
1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine has a molecular weight of 273.18 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine is sourced from PubChem (CID 83904098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).