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

C12H15BrN4 — CID 55059708

IUPACN-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2cc(Br)cn2)nc1
InChIInChI=1S/C12H15BrN4/c1-2-5-14-6-10-3-4-12(15-7-10)17-9-11(13)8-16-17/h3-4,7-9,14H,2,5-6H2,1H3
InChIKeyGULHAKADSWRVIZ-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.53
Rot. Bonds5

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

N-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 55059708) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is N-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID55059708
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC NameN-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2cc(Br)cn2)nc1
InChIInChI=1S/C12H15BrN4/c1-2-5-14-6-10-3-4-12(15-7-10)17-9-11(13)8-16-17/h3-4,7-9,14H,2,5-6H2,1H3
InChIKeyGULHAKADSWRVIZ-UHFFFAOYSA-N
XLogP2.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55054608
N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 55024110
N-[[6-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636263
N-[[4-(4-bromopyrazol-1-yl)phenyl]methyl]ethanamine
CID 61036315
6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde
CID 80631120
4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine
CID 80853897
N-[[4-(4-bromopyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 55148000
N-[[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 54909608
N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 80636555
N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 62286973
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 114412489
3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 65349761

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 55059708) is N-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(-n2cc(Br)cn2)nc1.
What is the InChIKey of N-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is GULHAKADSWRVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-2-5-14-6-10-3-4-12(15-7-10)17-9-11(13)8-16-17/h3-4,7-9,14H,2,5-6H2,1H3.
What are the key properties of N-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 295.18 g/mol, XLogP of 2.53, 5 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)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 55059708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).