1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine

C12H14BrClN4 — CID 113470316

IUPAC1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(Cl)c1CC(N)c1cncc(Br)c1
InChIInChI=1S/C12H14BrClN4/c1-7-10(12(14)18(2)17-7)4-11(15)8-3-9(13)6-16-5-8/h3,5-6,11H,4,15H2,1-2H3
InChIKeyJCBWGWWRPKVIQL-UHFFFAOYSA-N
MW329.63 g/mol
LogP2.78
Rot. Bonds3

About 1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine

1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine (PubChem CID 113470316) has the molecular formula C12H14BrClN4 and a molecular weight of 329.63 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
PubChem CID113470316
Molecular FormulaC12H14BrClN4
Molecular Weight329.63 g/mol
Exact Mass328.01
IUPAC Name1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(Cl)c1CC(N)c1cncc(Br)c1
InChIInChI=1S/C12H14BrClN4/c1-7-10(12(14)18(2)17-7)4-11(15)8-3-9(13)6-16-5-8/h3,5-6,11H,4,15H2,1-2H3
InChIKeyJCBWGWWRPKVIQL-UHFFFAOYSA-N
XLogP2.78
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105180396
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 105034993
1-(4-bromo-2-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035188
1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035077
[1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 107948485
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 105034972
1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035202
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171198661
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105180369

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine (CID 113470316) is 1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(Cl)c1CC(N)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is JCBWGWWRPKVIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4/c1-7-10(12(14)18(2)17-7)4-11(15)8-3-9(13)6-16-5-8/h3,5-6,11H,4,15H2,1-2H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine?
1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 329.63 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 113470316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).