N-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine

C12H15BrN4 — CID 62287555

IUPACN-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(-n2cc(Br)cn2)c1
InChIInChI=1S/C12H15BrN4/c1-9(2)15-6-10-3-4-14-12(5-10)17-8-11(13)7-16-17/h3-5,7-9,15H,6H2,1-2H3
InChIKeyIREPDLLHWHTBIO-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.53
Rot. Bonds4

About N-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 62287555) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is N-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID62287555
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC NameN-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(-n2cc(Br)cn2)c1
InChIInChI=1S/C12H15BrN4/c1-9(2)15-6-10-3-4-14-12(5-10)17-8-11(13)7-16-17/h3-5,7-9,15H,6H2,1-2H3
InChIKeyIREPDLLHWHTBIO-UHFFFAOYSA-N
XLogP2.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine
CID 61035802
N-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635837
N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62295446
N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61272105
N-[(2-indazol-1-yl-4-pyridinyl)methyl]propan-2-amine
CID 62293767
N-[[2-(1,4-thiazepan-4-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55059045
N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62294736
N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83189716
N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62288369
N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114172687
N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine
CID 116793338
N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55055040

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 62287555) is N-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccnc(-n2cc(Br)cn2)c1.
What is the InChIKey of N-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is IREPDLLHWHTBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-9(2)15-6-10-3-4-14-12(5-10)17-8-11(13)7-16-17/h3-5,7-9,15H,6H2,1-2H3.
What are the key properties of N-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 295.18 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62287555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).