1-(3,5-dimethylpyrazol-1-yl)-2-(4-phenylphenoxy)ethanone

C19H18N2O2 — CID 952293

IUPAC1-(3,5-dimethylpyrazol-1-yl)-2-(4-phenylphenoxy)ethanone
SMILESCc1cc(C)n(C(=O)COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C19H18N2O2/c1-14-12-15(2)21(20-14)19(22)13-23-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyWDHLYQWYGKLXNL-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.89
Rot. Bonds4

About 1-(3,5-dimethylpyrazol-1-yl)-2-(4-phenylphenoxy)ethanone

1-(3,5-dimethylpyrazol-1-yl)-2-(4-phenylphenoxy)ethanone (PubChem CID 952293) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-2-(4-phenylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-2-(4-phenylphenoxy)ethanone
PubChem CID952293
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-2-(4-phenylphenoxy)ethanone
SMILESCc1cc(C)n(C(=O)COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C19H18N2O2/c1-14-12-15(2)21(20-14)19(22)13-23-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyWDHLYQWYGKLXNL-UHFFFAOYSA-N
XLogP3.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.89
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-(4-phenylphenoxy)ethanone?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-(4-phenylphenoxy)ethanone (CID 952293) is 1-(3,5-dimethylpyrazol-1-yl)-2-(4-phenylphenoxy)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-2-(4-phenylphenoxy)ethanone?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-2-(4-phenylphenoxy)ethanone is Cc1cc(C)n(C(=O)COc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-2-(4-phenylphenoxy)ethanone?
The InChIKey is WDHLYQWYGKLXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14-12-15(2)21(20-14)19(22)13-23-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-2-(4-phenylphenoxy)ethanone?
1-(3,5-dimethylpyrazol-1-yl)-2-(4-phenylphenoxy)ethanone has a molecular weight of 306.37 g/mol, XLogP of 3.89, 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-(4-phenylphenoxy)ethanone is sourced from PubChem (CID 952293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).