1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine

C16H23N3O2 — CID 63817513

IUPAC1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine
SMILESCCOc1ccccc1Oc1c(CC(C)N)c(C)nn1C
InChIInChI=1S/C16H23N3O2/c1-5-20-14-8-6-7-9-15(14)21-16-13(10-11(2)17)12(3)18-19(16)4/h6-9,11H,5,10,17H2,1-4H3
InChIKeyPDFNKCGRYNZOCX-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.81
Rot. Bonds6

About 1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine

1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine (PubChem CID 63817513) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine
PubChem CID63817513
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine
SMILESCCOc1ccccc1Oc1c(CC(C)N)c(C)nn1C
InChIInChI=1S/C16H23N3O2/c1-5-20-14-8-6-7-9-15(14)21-16-13(10-11(2)17)12(3)18-19(16)4/h6-9,11H,5,10,17H2,1-4H3
InChIKeyPDFNKCGRYNZOCX-UHFFFAOYSA-N
XLogP2.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63803668
1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine
CID 63817332
N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283294
2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine
CID 63802598
1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095807
N-[[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]methyl]ethanamine
CID 43283129
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
[5-(2-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 43479792
1,3-dimethyl-5-(2-propoxyphenoxy)pyrazole-4-carbothioamide
CID 63756902
N-[[5-(2-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 63070226
[5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964073
1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine
CID 81159950

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine (CID 63817513) is 1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine is CCOc1ccccc1Oc1c(CC(C)N)c(C)nn1C.
What is the InChIKey of 1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The InChIKey is PDFNKCGRYNZOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-20-14-8-6-7-9-15(14)21-16-13(10-11(2)17)12(3)18-19(16)4/h6-9,11H,5,10,17H2,1-4H3.
What are the key properties of 1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 63817513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).