N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine

C15H22N4O — CID 116802957

IUPACN-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Oc2cnn(CCC)c2)n1
InChIInChI=1S/C15H22N4O/c1-3-8-16-10-13-6-5-7-15(18-13)20-14-11-17-19(12-14)9-4-2/h5-7,11-12,16H,3-4,8-10H2,1-2H3
InChIKeyGXRBISZWZOLBOW-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.98
Rot. Bonds8

About N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine

N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine (PubChem CID 116802957) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine
PubChem CID116802957
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Oc2cnn(CCC)c2)n1
InChIInChI=1S/C15H22N4O/c1-3-8-16-10-13-6-5-7-15(18-13)20-14-11-17-19(12-14)9-4-2/h5-7,11-12,16H,3-4,8-10H2,1-2H3
InChIKeyGXRBISZWZOLBOW-UHFFFAOYSA-N
XLogP2.98
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.98
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-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116802934
N-[[6-(1-propylpyrazol-4-yl)oxypyrazin-2-yl]methyl]ethanamine
CID 116802960
N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 116802800
N-[[6-(4-ethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62298336
N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116806272
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116806326
N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62322224
N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 81326466
N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116803000
N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908679
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine
CID 63984877

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine (CID 116802957) is N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(Oc2cnn(CCC)c2)n1.
What is the InChIKey of N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is GXRBISZWZOLBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-8-16-10-13-6-5-7-15(18-13)20-14-11-17-19(12-14)9-4-2/h5-7,11-12,16H,3-4,8-10H2,1-2H3.
What are the key properties of N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine?
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 116802957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).