2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine

C15H22N4O — CID 115589679

IUPAC2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCC(C)COCCNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C15H22N4O/c1-12(2)11-20-7-6-17-9-14-10-18-19-15(14)13-4-3-5-16-8-13/h3-5,8,10,12,17H,6-7,9,11H2,1-2H3,(H,18,19)
InChIKeyMABDZNVZGTXXFB-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.23
Rot. Bonds8

About 2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine

2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 115589679) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID115589679
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCC(C)COCCNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C15H22N4O/c1-12(2)11-20-7-6-17-9-14-10-18-19-15(14)13-4-3-5-16-8-13/h3-5,8,10,12,17H,6-7,9,11H2,1-2H3,(H,18,19)
InChIKeyMABDZNVZGTXXFB-UHFFFAOYSA-N
XLogP2.23
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43771400
2-ethoxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115655743
2-[(1S,2R)-2-methylcyclohexyl]oxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 95136028
3-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]butan-2-ol
CID 111422008
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 103649065
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43756378
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine
CID 71889196
(1R)-1-pyridin-3-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81392078
N'-cyclopentyl-N'-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 119123770
1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43766878

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine (CID 115589679) is 2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine is CC(C)COCCNCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of 2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is MABDZNVZGTXXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(2)11-20-7-6-17-9-14-10-18-19-15(14)13-4-3-5-16-8-13/h3-5,8,10,12,17H,6-7,9,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 274.37 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115589679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).