1-(5-ethyl-1-methylpyrazol-4-yl)ethanone

C8H12N2O — CID 23005694

IUPAC1-(5-ethyl-1-methylpyrazol-4-yl)ethanone
SMILESCCc1c(C(C)=O)cnn1C
InChIInChI=1S/C8H12N2O/c1-4-8-7(6(2)11)5-9-10(8)3/h5H,4H2,1-3H3
InChIKeySNVGWYMUEBVZPI-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.19
Rot. Bonds2

About 1-(5-ethyl-1-methylpyrazol-4-yl)ethanone

1-(5-ethyl-1-methylpyrazol-4-yl)ethanone (PubChem CID 23005694) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(5-ethyl-1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-1-methylpyrazol-4-yl)ethanone
PubChem CID23005694
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(5-ethyl-1-methylpyrazol-4-yl)ethanone
SMILESCCc1c(C(C)=O)cnn1C
InChIInChI=1S/C8H12N2O/c1-4-8-7(6(2)11)5-9-10(8)3/h5H,4H2,1-3H3
InChIKeySNVGWYMUEBVZPI-UHFFFAOYSA-N
XLogP1.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(5-ethyl-1-methylpyrazol-4-yl)ethanone (CID 23005694) is 1-(5-ethyl-1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-1-methylpyrazol-4-yl)ethanone is CCc1c(C(C)=O)cnn1C.
What is the InChIKey of 1-(5-ethyl-1-methylpyrazol-4-yl)ethanone?
The InChIKey is SNVGWYMUEBVZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-8-7(6(2)11)5-9-10(8)3/h5H,4H2,1-3H3.
What are the key properties of 1-(5-ethyl-1-methylpyrazol-4-yl)ethanone?
1-(5-ethyl-1-methylpyrazol-4-yl)ethanone has a molecular weight of 152.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 23005694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).