1-(2-ethylpyrazol-3-yl)ethanone

C7H10N2O — CID 7017233

IUPAC1-(2-ethylpyrazol-3-yl)ethanone
SMILESCCn1nccc1C(C)=O
InChIInChI=1S/C7H10N2O/c1-3-9-7(6(2)10)4-5-8-9/h4-5H,3H2,1-2H3
InChIKeyPUPCYOHVYDUGSY-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.11
Rot. Bonds2

About 1-(2-ethylpyrazol-3-yl)ethanone

1-(2-ethylpyrazol-3-yl)ethanone (PubChem CID 7017233) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)ethanone
PubChem CID7017233
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-(2-ethylpyrazol-3-yl)ethanone
SMILESCCn1nccc1C(C)=O
InChIInChI=1S/C7H10N2O/c1-3-9-7(6(2)10)4-5-8-9/h4-5H,3H2,1-2H3
InChIKeyPUPCYOHVYDUGSY-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-(2-ethylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)ethanone (CID 7017233) is 1-(2-ethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)ethanone is CCn1nccc1C(C)=O.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)ethanone?
The InChIKey is PUPCYOHVYDUGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-9-7(6(2)10)4-5-8-9/h4-5H,3H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)ethanone?
1-(2-ethylpyrazol-3-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-(2-ethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 7017233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).