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

C15H18N2O2 — CID 114978856

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)Cc2cc(C)nn2C)cc1
InChIInChI=1S/C15H18N2O2/c1-4-19-14-7-5-12(6-8-14)15(18)10-13-9-11(2)16-17(13)3/h5-9H,4,10H2,1-3H3
InChIKeyLHOXJOYWHVGWLZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.55
Rot. Bonds5

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

2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone (PubChem CID 114978856) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone
PubChem CID114978856
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)Cc2cc(C)nn2C)cc1
InChIInChI=1S/C15H18N2O2/c1-4-19-14-7-5-12(6-8-14)15(18)10-13-9-11(2)16-17(13)3/h5-9H,4,10H2,1-3H3
InChIKeyLHOXJOYWHVGWLZ-UHFFFAOYSA-N
XLogP2.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 113336903
1-(4-amino-3,5-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116609859
2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274086
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19292784
1-(4-ethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389764
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 104996043
1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one
CID 116707502
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-3-ethoxypropanoic acid
CID 122185442
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone
CID 114975551
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone
CID 141476338

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone (CID 114978856) is 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone is CCOc1ccc(C(=O)Cc2cc(C)nn2C)cc1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone?
The InChIKey is LHOXJOYWHVGWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-19-14-7-5-12(6-8-14)15(18)10-13-9-11(2)16-17(13)3/h5-9H,4,10H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone?
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 114978856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).