1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone

C11H14N4O — CID 105116318

IUPAC1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCc1c(C(=O)Cc2nccn2C)cnn1C
InChIInChI=1S/C11H14N4O/c1-8-9(7-13-15(8)3)10(16)6-11-12-4-5-14(11)2/h4-5,7H,6H2,1-3H3
InChIKeyRNEILUYQEQAREH-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.89
Rot. Bonds3

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

1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 105116318) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID105116318
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCc1c(C(=O)Cc2nccn2C)cnn1C
InChIInChI=1S/C11H14N4O/c1-8-9(7-13-15(8)3)10(16)6-11-12-4-5-14(11)2/h4-5,7H,6H2,1-3H3
InChIKeyRNEILUYQEQAREH-UHFFFAOYSA-N
XLogP0.89
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 105112177
1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784443
1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744377
1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115580335
2-(1-methylimidazol-2-yl)-1-pyridazin-4-ylethanone
CID 105116274
1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 106790241
5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid
CID 114528404
1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107944629
1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063336
2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 115529672
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744159
1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116343

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone (CID 105116318) is 1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone is Cc1c(C(=O)Cc2nccn2C)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is RNEILUYQEQAREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-9(7-13-15(8)3)10(16)6-11-12-4-5-14(11)2/h4-5,7H,6H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone?
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 218.26 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 105116318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).