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

C16H24N4O — CID 106908455

IUPACN-[[6-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COc2c(C)nn(C)c2C)n1
InChIInChI=1S/C16H24N4O/c1-5-9-17-10-14-7-6-8-15(18-14)11-21-16-12(2)19-20(4)13(16)3/h6-8,17H,5,9-11H2,1-4H3
InChIKeyKZBDSDQWOWSFPK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.51
Rot. Bonds7

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

N-[[6-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106908455) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[6-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
PubChem CID106908455
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[[6-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COc2c(C)nn(C)c2C)n1
InChIInChI=1S/C16H24N4O/c1-5-9-17-10-14-7-6-8-15(18-14)11-21-16-12(2)19-20(4)13(16)3/h6-8,17H,5,9-11H2,1-4H3
InChIKeyKZBDSDQWOWSFPK-UHFFFAOYSA-N
XLogP2.51
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907958
N-[[5-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 80722414
N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908714
N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908531
N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907788
N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908243
N-[[6-[(2,3-difluorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908315
N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908679
N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907746
N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907682
N-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 115953214

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine (CID 106908455) is N-[[6-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(COc2c(C)nn(C)c2C)n1.
What is the InChIKey of N-[[6-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is KZBDSDQWOWSFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-9-17-10-14-7-6-8-15(18-14)11-21-16-12(2)19-20(4)13(16)3/h6-8,17H,5,9-11H2,1-4H3.
What are the key properties of N-[[6-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine?
N-[[6-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106908455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).