1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine

C9H15BrN4 — CID 83901819

IUPAC1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine
SMILESCn1cc(Br)c(CN2CCNCC2)n1
InChIInChI=1S/C9H15BrN4/c1-13-6-8(10)9(12-13)7-14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3
InChIKeyQHRGEFRMLXPYJJ-UHFFFAOYSA-N
MW259.15 g/mol
LogP0.59
Rot. Bonds2

About 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine

1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine (PubChem CID 83901819) has the molecular formula C9H15BrN4 and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine
PubChem CID83901819
Molecular FormulaC9H15BrN4
Molecular Weight259.15 g/mol
Exact Mass258.05
IUPAC Name1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine
SMILESCn1cc(Br)c(CN2CCNCC2)n1
InChIInChI=1S/C9H15BrN4/c1-13-6-8(10)9(12-13)7-14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3
InChIKeyQHRGEFRMLXPYJJ-UHFFFAOYSA-N
XLogP0.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine
CID 131212413
1-[(4-bromo-1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperazine
CID 166449739
4-bromo-3-(bromomethyl)-1-methylpyrazole
CID 67979675
1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 65215067
(4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride
CID 91758961
2-(4-bromo-1-methylpyrazol-3-yl)ethanol
CID 84672844
1-[2-(1,3-dimethylpyrazol-4-yl)ethyl]piperazine
CID 82611840
1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine
CID 117188331
3-amino-1-[(4-bromo-1-methylpyrazol-3-yl)methyl]azetidin-2-one
CID 131007203
1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine
CID 82553993
5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342184
1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine
CID 83903383

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine (CID 83901819) is 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine is Cn1cc(Br)c(CN2CCNCC2)n1.
What is the InChIKey of 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine?
The InChIKey is QHRGEFRMLXPYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4/c1-13-6-8(10)9(12-13)7-14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3.
What are the key properties of 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine?
1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine has a molecular weight of 259.15 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 83901819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).