2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine

C11H13BrN4 — CID 83665733

IUPAC2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine
SMILESCc1c(Br)c(-c2cccnc2)nn1CCN
InChIInChI=1S/C11H13BrN4/c1-8-10(12)11(15-16(8)6-4-13)9-3-2-5-14-7-9/h2-3,5,7H,4,6,13H2,1H3
InChIKeySOKCKSORNYBLIQ-UHFFFAOYSA-N
MW281.16 g/mol
LogP1.97
Rot. Bonds3

About 2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine

2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine (PubChem CID 83665733) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine
PubChem CID83665733
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine
SMILESCc1c(Br)c(-c2cccnc2)nn1CCN
InChIInChI=1S/C11H13BrN4/c1-8-10(12)11(15-16(8)6-4-13)9-3-2-5-14-7-9/h2-3,5,7H,4,6,13H2,1H3
InChIKeySOKCKSORNYBLIQ-UHFFFAOYSA-N
XLogP1.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-bromo-1-(2-chloroethyl)-5-methylpyrazol-3-yl]pyridine
CID 121211526
3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine
CID 83728159
2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine
CID 121211545
2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one
CID 52903522
1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine
CID 83218420
2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride
CID 146064771
2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 150087944
4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 43560795
3-(4-bromo-3,5-difluorophenyl)pyridine
CID 164533968
2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanamine
CID 28752905
(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106363
3-methyl-2-phenyl-5-pyridin-3-ylimidazol-4-amine
CID 55048938

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine (CID 83665733) is 2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine is Cc1c(Br)c(-c2cccnc2)nn1CCN.
What is the InChIKey of 2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine?
The InChIKey is SOKCKSORNYBLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-8-10(12)11(15-16(8)6-4-13)9-3-2-5-14-7-9/h2-3,5,7H,4,6,13H2,1H3.
What are the key properties of 2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine?
2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine has a molecular weight of 281.16 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 83665733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).