N-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine

C13H17BrN4 — CID 80635837

IUPACN-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1-n1cc(Br)cn1
InChIInChI=1S/C13H17BrN4/c1-9(2)15-5-11-4-10(3)13(16-6-11)18-8-12(14)7-17-18/h4,6-9,15H,5H2,1-3H3
InChIKeyAQBWNXQNHBIIIP-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.84
Rot. Bonds4

About N-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine

N-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 80635837) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is N-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID80635837
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC NameN-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1-n1cc(Br)cn1
InChIInChI=1S/C13H17BrN4/c1-9(2)15-5-11-4-10(3)13(16-6-11)18-8-12(14)7-17-18/h4,6-9,15H,5H2,1-3H3
InChIKeyAQBWNXQNHBIIIP-UHFFFAOYSA-N
XLogP2.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62295446
N-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62287555
N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80628155
N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 80629574
6-(4-bromopyrazol-1-yl)-5-methylpyridin-3-amine
CID 62476407
N-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80627944
N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83189716
N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635386
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635274
1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine
CID 80634551
N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 82752931
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80638431

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine (CID 80635837) is N-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)cnc1-n1cc(Br)cn1.
What is the InChIKey of N-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is AQBWNXQNHBIIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-9(2)15-5-11-4-10(3)13(16-6-11)18-8-12(14)7-17-18/h4,6-9,15H,5H2,1-3H3.
What are the key properties of N-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 309.21 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 80635837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).