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

C15H18N2O3 — CID 114978939

IUPAC1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2cc(C)nn2C)c(OC)c1
InChIInChI=1S/C15H18N2O3/c1-10-7-11(17(2)16-10)8-14(18)13-6-5-12(19-3)9-15(13)20-4/h5-7,9H,8H2,1-4H3
InChIKeyNITMBCRCAYAPQP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.17
Rot. Bonds5

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

1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone (PubChem CID 114978939) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
PubChem CID114978939
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2cc(C)nn2C)c(OC)c1
InChIInChI=1S/C15H18N2O3/c1-10-7-11(17(2)16-10)8-14(18)13-6-5-12(19-3)9-15(13)20-4/h5-7,9H,8H2,1-4H3
InChIKeyNITMBCRCAYAPQP-UHFFFAOYSA-N
XLogP2.17
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethoxybenzamide
CID 19294375
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978828
1-(2,4-dimethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62799846
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
(2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105098356
1-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62387371
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978978
(1S)-1-[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82002100
2-tert-butylsulfanyl-1-(2,4-dimethoxyphenyl)ethanone
CID 60645739
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114978839

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone (CID 114978939) is 1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone is COc1ccc(C(=O)Cc2cc(C)nn2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The InChIKey is NITMBCRCAYAPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-7-11(17(2)16-10)8-14(18)13-6-5-12(19-3)9-15(13)20-4/h5-7,9H,8H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone has a molecular weight of 274.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114978939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).