1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine

C10H17BrN4 — CID 84810022

IUPAC1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine
SMILESCCn1ncc(CN2CCNCC2)c1Br
InChIInChI=1S/C10H17BrN4/c1-2-15-10(11)9(7-13-15)8-14-5-3-12-4-6-14/h7,12H,2-6,8H2,1H3
InChIKeyCDFONFHRLPXTRW-UHFFFAOYSA-N
MW273.18 g/mol
LogP1.07
Rot. Bonds3

About 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine

1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine (PubChem CID 84810022) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine
PubChem CID84810022
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC Name1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine
SMILESCCn1ncc(CN2CCNCC2)c1Br
InChIInChI=1S/C10H17BrN4/c1-2-15-10(11)9(7-13-15)8-14-5-3-12-4-6-14/h7,12H,2-6,8H2,1H3
InChIKeyCDFONFHRLPXTRW-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-(piperazin-1-ylmethyl)pyrazol-5-amine
CID 117216696
1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine
CID 84801861
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperazine
CID 25248518
1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine
CID 82553993
1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide
CID 174286810
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 83890851
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine
CID 83903383
1-[(2-bromo-3-methylphenyl)methyl]piperazine
CID 83742586
1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine
CID 117188331
1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 79002283
2-(5-bromo-1-ethylpyrazol-4-yl)acetamide
CID 166560098

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine (CID 84810022) is 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine is CCn1ncc(CN2CCNCC2)c1Br.
What is the InChIKey of 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is CDFONFHRLPXTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-2-15-10(11)9(7-13-15)8-14-5-3-12-4-6-14/h7,12H,2-6,8H2,1H3.
What are the key properties of 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine?
1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 273.18 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 84810022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).