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

C7H10N2O — CID 82418479

IUPAC1-(1,4-dimethylpyrazol-5-yl)ethanone
SMILESCC(=O)c1c(C)cnn1C
InChIInChI=1S/C7H10N2O/c1-5-4-8-9(3)7(5)6(2)10/h4H,1-3H3
InChIKeyOEYZTQRNRNGHJB-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.93
Rot. Bonds1

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

1-(1,4-dimethylpyrazol-5-yl)ethanone (PubChem CID 82418479) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(1,4-dimethylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-dimethylpyrazol-5-yl)ethanone
PubChem CID82418479
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-(1,4-dimethylpyrazol-5-yl)ethanone
SMILESCC(=O)c1c(C)cnn1C
InChIInChI=1S/C7H10N2O/c1-5-4-8-9(3)7(5)6(2)10/h4H,1-3H3
InChIKeyOEYZTQRNRNGHJB-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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Related Compounds

1-(1-Methyl-1H-pyrazol-3-yl)ethan-1-one
CID 15710468
1-(1,5-Dimethyl-1H-pyrazol-4-yl)ethanone
CID 7019427
1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-one
CID 7017233
1-(1-Methyl-1H-pyrazol-5-yl)ethan-1-one
CID 7017416
1-(1-methyl-1H-pyrazol-3-yl)propan-1-one
CID 10701890
1-(4-bromo-1-ethyl-1H-pyrazol-3-yl)ethanone
CID 7017424
1-(4-bromo-1-methyl-1H-pyrazol-5-yl)ethanone
CID 7017423
1,4-dimethyl-1H-pyrazole-5-carbaldehyde
CID 20718558
3-ethyl-1-methyl-1H-pyrazole-4-carbaldehyde
CID 23005658
5-ethyl-1-methyl-1H-pyrazole-4-carbaldehyde
CID 23005659
1-(1-tert-butyl-1H-pyrazol-3-yl)ethan-1-one
CID 57953879
4-ethyl-1-methyl-1H-pyrazole-5-carbaldehyde
CID 88861176

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)ethanone (CID 82418479) is 1-(1,4-dimethylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1,4-dimethylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(1,4-dimethylpyrazol-5-yl)ethanone is CC(=O)c1c(C)cnn1C.
What is the InChIKey of 1-(1,4-dimethylpyrazol-5-yl)ethanone?
The InChIKey is OEYZTQRNRNGHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-4-8-9(3)7(5)6(2)10/h4H,1-3H3.
What are the key properties of 1-(1,4-dimethylpyrazol-5-yl)ethanone?
1-(1,4-dimethylpyrazol-5-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-(1,4-dimethylpyrazol-5-yl)ethanone is sourced from PubChem (CID 82418479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).