1-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone

C17H22N2O2 — CID 675694

IUPAC1-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
SMILESCc1ccc(C(C)C)c(OCC(=O)n2nc(C)cc2C)c1
InChIInChI=1S/C17H22N2O2/c1-11(2)15-7-6-12(3)8-16(15)21-10-17(20)19-14(5)9-13(4)18-19/h6-9,11H,10H2,1-5H3
InChIKeyJYRVZTVKLPUPED-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.65
Rot. Bonds4

About 1-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone

1-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone (PubChem CID 675694) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
PubChem CID675694
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
SMILESCc1ccc(C(C)C)c(OCC(=O)n2nc(C)cc2C)c1
InChIInChI=1S/C17H22N2O2/c1-11(2)15-7-6-12(3)8-16(15)21-10-17(20)19-14(5)9-13(4)18-19/h6-9,11H,10H2,1-5H3
InChIKeyJYRVZTVKLPUPED-UHFFFAOYSA-N
XLogP3.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone (CID 675694) is 1-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone is Cc1ccc(C(C)C)c(OCC(=O)n2nc(C)cc2C)c1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone?
The InChIKey is JYRVZTVKLPUPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(2)15-7-6-12(3)8-16(15)21-10-17(20)19-14(5)9-13(4)18-19/h6-9,11H,10H2,1-5H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone?
1-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone has a molecular weight of 286.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 675694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).