N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine

C13H16BrFN4 — CID 105390531

IUPACN-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(-n2nc(C)c(Br)c2C)c1F
InChIInChI=1S/C13H16BrFN4/c1-4-16-7-10-5-6-17-13(12(10)15)19-9(3)11(14)8(2)18-19/h5-6,16H,4,7H2,1-3H3
InChIKeyZIHDKZWPGUXIOE-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.90
Rot. Bonds4

About N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine

N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine (PubChem CID 105390531) has the molecular formula C13H16BrFN4 and a molecular weight of 327.20 g/mol. Its IUPAC name is N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
PubChem CID105390531
Molecular FormulaC13H16BrFN4
Molecular Weight327.20 g/mol
Exact Mass326.05
IUPAC NameN-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(-n2nc(C)c(Br)c2C)c1F
InChIInChI=1S/C13H16BrFN4/c1-4-16-7-10-5-6-17-13(12(10)15)19-9(3)11(14)8(2)18-19/h5-6,16H,4,7H2,1-3H3
InChIKeyZIHDKZWPGUXIOE-UHFFFAOYSA-N
XLogP2.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105390610
N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methyl]ethanamine
CID 55038754
N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62294452
N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine
CID 105388738
N-[[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 62446746
N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105390296
N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105389234
N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 62129252
2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine
CID 62129713
N-[[3-fluoro-2-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391185
N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine
CID 105388874
N-[[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 107459593

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine (CID 105390531) is N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(-n2nc(C)c(Br)c2C)c1F.
What is the InChIKey of N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine?
The InChIKey is ZIHDKZWPGUXIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN4/c1-4-16-7-10-5-6-17-13(12(10)15)19-9(3)11(14)8(2)18-19/h5-6,16H,4,7H2,1-3H3.
What are the key properties of N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine?
N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine has a molecular weight of 327.20 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105390531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).