N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine

C13H17BrN4 — CID 62293679

IUPACN-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccnc1-n1cc(Br)cn1
InChIInChI=1S/C13H17BrN4/c1-10(2)6-15-7-11-4-3-5-16-13(11)18-9-12(14)8-17-18/h3-5,8-10,15H,6-7H2,1-2H3
InChIKeyHQBPJKNOZVIXPX-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.78
Rot. Bonds5

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

N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62293679) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62293679
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC NameN-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccnc1-n1cc(Br)cn1
InChIInChI=1S/C13H17BrN4/c1-10(2)6-15-7-11-4-3-5-16-13(11)18-9-12(14)8-17-18/h3-5,8-10,15H,6-7H2,1-2H3
InChIKeyHQBPJKNOZVIXPX-UHFFFAOYSA-N
XLogP2.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.78
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-[(5-bromo-2-pyrazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62294142
N-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62294643
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62278791
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114412532
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 115562080
2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62974256
N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62286909
N-[[2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63972016
N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 83221223
2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile
CID 61035009
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62293679) is N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccnc1-n1cc(Br)cn1.
What is the InChIKey of N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is HQBPJKNOZVIXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-10(2)6-15-7-11-4-3-5-16-13(11)18-9-12(14)8-17-18/h3-5,8-10,15H,6-7H2,1-2H3.
What are the key properties of N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 309.21 g/mol, XLogP of 2.78, 5 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)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62293679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).