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

C7H10N2O — CID 7019427

IUPAC1-(1,5-dimethylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(C)c1C
InChIInChI=1S/C7H10N2O/c1-5-7(6(2)10)4-8-9(5)3/h4H,1-3H3
InChIKeyTXXZNYALZCZZSY-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.93
Rot. Bonds1

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

1-(1,5-dimethylpyrazol-4-yl)ethanone (PubChem CID 7019427) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)ethanone
PubChem CID7019427
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(C)c1C
InChIInChI=1S/C7H10N2O/c1-5-7(6(2)10)4-8-9(5)3/h4H,1-3H3
InChIKeyTXXZNYALZCZZSY-UHFFFAOYSA-N
XLogP0.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)ethanone (CID 7019427) is 1-(1,5-dimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)ethanone is CC(=O)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)ethanone?
The InChIKey is TXXZNYALZCZZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-7(6(2)10)4-8-9(5)3/h4H,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)ethanone?
1-(1,5-dimethylpyrazol-4-yl)ethanone has a molecular weight of 138.17 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 7019427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).