[6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine

C12H16N4O — CID 116802826

IUPAC[6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine
SMILESCCn1cc(Oc2ccc(CN)c(C)n2)cn1
InChIInChI=1S/C12H16N4O/c1-3-16-8-11(7-14-16)17-12-5-4-10(6-13)9(2)15-12/h4-5,7-8H,3,6,13H2,1-2H3
InChIKeyXQKRDBVKYHQYCD-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.86
Rot. Bonds4

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

[6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine (PubChem CID 116802826) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine
PubChem CID116802826
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine
SMILESCCn1cc(Oc2ccc(CN)c(C)n2)cn1
InChIInChI=1S/C12H16N4O/c1-3-16-8-11(7-14-16)17-12-5-4-10(6-13)9(2)15-12/h4-5,7-8H,3,6,13H2,1-2H3
InChIKeyXQKRDBVKYHQYCD-UHFFFAOYSA-N
XLogP1.86
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(chloromethyl)-2-methyl-6-(1-methylpyrazol-4-yl)oxypyridine
CID 116793279
5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine
CID 116802687
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
4-(1-ethylpyrazol-4-yl)oxy-6-methoxypyrimidin-2-amine
CID 114053313
[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methanamine
CID 83135138
6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide
CID 136932336
2-chloro-6-(1-ethylpyrazol-4-yl)oxypyrazine
CID 116801023
[2-bromo-4-(1-propylpyrazol-4-yl)oxyphenyl]methanamine
CID 107275288
N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 116802800
[5-(1-ethylpyrazol-4-yl)oxypyrazin-2-yl]methanol
CID 107373241
[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methyl-3-pyridinyl]methanamine
CID 103175479
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573

Frequently Asked Questions

What is the IUPAC name of [6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine?
The IUPAC name of [6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine (CID 116802826) is [6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine is CCn1cc(Oc2ccc(CN)c(C)n2)cn1.
What is the InChIKey of [6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine?
The InChIKey is XQKRDBVKYHQYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-16-8-11(7-14-16)17-12-5-4-10(6-13)9(2)15-12/h4-5,7-8H,3,6,13H2,1-2H3.
What are the key properties of [6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine?
[6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine has a molecular weight of 232.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 116802826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).