1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine

C11H20BrN3 — CID 114657465

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1c(Br)cnn1C
InChIInChI=1S/C11H20BrN3/c1-4-6-7-10(13-5-2)11-9(12)8-14-15(11)3/h8,10,13H,4-7H2,1-3H3
InChIKeyRZYXUOBKOZTZFG-UHFFFAOYSA-N
MW274.21 g/mol
LogP3.02
Rot. Bonds6

About 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine

1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine (PubChem CID 114657465) has the molecular formula C11H20BrN3 and a molecular weight of 274.21 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine
PubChem CID114657465
Molecular FormulaC11H20BrN3
Molecular Weight274.21 g/mol
Exact Mass273.08
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1c(Br)cnn1C
InChIInChI=1S/C11H20BrN3/c1-4-6-7-10(13-5-2)11-9(12)8-14-15(11)3/h8,10,13H,4-7H2,1-3H3
InChIKeyRZYXUOBKOZTZFG-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 114659492
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CID 114647947
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylhexan-1-amine
CID 105046403
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-2-methylsulfonylethanamine
CID 105054166
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105046940
1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 114659630
1-(4-bromo-1-methylpyrazol-5-yl)butylhydrazine
CID 105202210
1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83840801
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 114649449
1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105189818
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105189704
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine
CID 105183470

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine (CID 114657465) is 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine is CCCCC(NCC)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine?
The InChIKey is RZYXUOBKOZTZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3/c1-4-6-7-10(13-5-2)11-9(12)8-14-15(11)3/h8,10,13H,4-7H2,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine?
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine has a molecular weight of 274.21 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine is sourced from PubChem (CID 114657465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).