N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine

C15H22N4O — CID 116803075

IUPACN-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1Oc1cnn(C(C)C)c1
InChIInChI=1S/C15H22N4O/c1-4-7-16-9-13-6-5-8-17-15(13)20-14-10-18-19(11-14)12(2)3/h5-6,8,10-12,16H,4,7,9H2,1-3H3
InChIKeyRJAACLLKWMYVGV-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.15
Rot. Bonds7

About N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine

N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine (PubChem CID 116803075) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
PubChem CID116803075
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1Oc1cnn(C(C)C)c1
InChIInChI=1S/C15H22N4O/c1-4-7-16-9-13-6-5-8-17-15(13)20-14-10-18-19(11-14)12(2)3/h5-6,8,10-12,16H,4,7,9H2,1-3H3
InChIKeyRJAACLLKWMYVGV-UHFFFAOYSA-N
XLogP3.15
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine
CID 116802722
N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 62296510
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 116803088
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908679
N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 65201336
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291948
N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296784
2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine
CID 116793343
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine (CID 116803075) is N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cccnc1Oc1cnn(C(C)C)c1.
What is the InChIKey of N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is RJAACLLKWMYVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-7-16-9-13-6-5-8-17-15(13)20-14-10-18-19(11-14)12(2)3/h5-6,8,10-12,16H,4,7,9H2,1-3H3.
What are the key properties of N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine?
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 116803075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).