N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine

C15H22N4O — CID 116802121

IUPACN-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCn1cc(Oc2ccc(CNC(C)(C)C)cn2)cn1
InChIInChI=1S/C15H22N4O/c1-5-19-11-13(10-18-19)20-14-7-6-12(8-16-14)9-17-15(2,3)4/h6-8,10-11,17H,5,9H2,1-4H3
InChIKeyACOUPLBAVPMSKO-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.98
Rot. Bonds5

About N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 116802121) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID116802121
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCn1cc(Oc2ccc(CNC(C)(C)C)cn2)cn1
InChIInChI=1S/C15H22N4O/c1-5-19-11-13(10-18-19)20-14-7-6-12(8-16-14)9-17-15(2,3)4/h6-8,10-11,17H,5,9H2,1-4H3
InChIKeyACOUPLBAVPMSKO-UHFFFAOYSA-N
XLogP2.98
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 116802125
N-[[2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116802810
N-[[2-(1-ethylpyrazol-4-yl)oxy-6-methyl-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116802838
N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 116803349
2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine
CID 116802250
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 116802111
2-methyl-N-[[6-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291299
(E)-3-[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]prop-2-enoic acid
CID 116802424
N-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290039
[5-(1-ethylpyrazol-4-yl)oxypyrazin-2-yl]methanol
CID 107373241
N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 116802800

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 116802121) is N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine is CCn1cc(Oc2ccc(CNC(C)(C)C)cn2)cn1.
What is the InChIKey of N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ACOUPLBAVPMSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-19-11-13(10-18-19)20-14-7-6-12(8-16-14)9-17-15(2,3)4/h6-8,10-11,17H,5,9H2,1-4H3.
What are the key properties of N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 274.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 116802121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).