2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine

C15H21N3O3 — CID 63815246

IUPAC2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine
SMILESCOc1cccc(OC)c1Oc1c(CCN)c(C)nn1C
InChIInChI=1S/C15H21N3O3/c1-10-11(8-9-16)15(18(2)17-10)21-14-12(19-3)6-5-7-13(14)20-4/h5-7H,8-9,16H2,1-4H3
InChIKeyKCTBEOCHPQARMF-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.04
Rot. Bonds6

About 2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine

2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine (PubChem CID 63815246) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine
PubChem CID63815246
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine
SMILESCOc1cccc(OC)c1Oc1c(CCN)c(C)nn1C
InChIInChI=1S/C15H21N3O3/c1-10-11(8-9-16)15(18(2)17-10)21-14-12(19-3)6-5-7-13(14)20-4/h5-7H,8-9,16H2,1-4H3
InChIKeyKCTBEOCHPQARMF-UHFFFAOYSA-N
XLogP2.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine (CID 63815246) is 2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine is COc1cccc(OC)c1Oc1c(CCN)c(C)nn1C.
What is the InChIKey of 2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine?
The InChIKey is KCTBEOCHPQARMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-11(8-9-16)15(18(2)17-10)21-14-12(19-3)6-5-7-13(14)20-4/h5-7H,8-9,16H2,1-4H3.
What are the key properties of 2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine?
2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine has a molecular weight of 291.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 63815246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).