1-(1-ethylpyrazol-4-yl)ethanone

C7H10N2O — CID 4912928

IUPAC1-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(C(C)=O)cn1
InChIInChI=1S/C7H10N2O/c1-3-9-5-7(4-8-9)6(2)10/h4-5H,3H2,1-2H3
InChIKeyXOFFHLYAOSZSIB-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.11
Rot. Bonds2

About 1-(1-ethylpyrazol-4-yl)ethanone

1-(1-ethylpyrazol-4-yl)ethanone (PubChem CID 4912928) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)ethanone
PubChem CID4912928
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(C(C)=O)cn1
InChIInChI=1S/C7H10N2O/c1-3-9-5-7(4-8-9)6(2)10/h4-5H,3H2,1-2H3
InChIKeyXOFFHLYAOSZSIB-UHFFFAOYSA-N
XLogP1.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)ethanone (CID 4912928) is 1-(1-ethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)ethanone is CCn1cc(C(C)=O)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)ethanone?
The InChIKey is XOFFHLYAOSZSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-9-5-7(4-8-9)6(2)10/h4-5H,3H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)ethanone?
1-(1-ethylpyrazol-4-yl)ethanone has a molecular weight of 138.17 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 4912928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).