1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone

C15H19N3O — CID 105109982

IUPAC1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2ccc(C)nc2C)n(C)n1
InChIInChI=1S/C15H19N3O/c1-5-12-8-13(18(4)17-12)9-15(19)14-7-6-10(2)16-11(14)3/h6-8H,5,9H2,1-4H3
InChIKeyYLYPDTWSDXYLKU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.42
Rot. Bonds4

About 1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone

1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone (PubChem CID 105109982) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
PubChem CID105109982
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2ccc(C)nc2C)n(C)n1
InChIInChI=1S/C15H19N3O/c1-5-12-8-13(18(4)17-12)9-15(19)14-7-6-10(2)16-11(14)3/h6-8H,5,9H2,1-4H3
InChIKeyYLYPDTWSDXYLKU-UHFFFAOYSA-N
XLogP2.42
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 114980916
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 113329351
1-(3,4-dichlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 81491473
1-(3-amino-4-methylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116550975
1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116601864
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847846
1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one
CID 114980926
1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 105084447
1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105109961
1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
CID 106677524
1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978828
2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274086

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone (CID 105109982) is 1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone is CCc1cc(CC(=O)c2ccc(C)nc2C)n(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The InChIKey is YLYPDTWSDXYLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-5-12-8-13(18(4)17-12)9-15(19)14-7-6-10(2)16-11(14)3/h6-8H,5,9H2,1-4H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone has a molecular weight of 257.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 105109982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).