1-(3-acetyl-1H-pyrazol-5-yl)ethanone

C7H8N2O2 — CID 11446444

IUPAC1-(3-acetyl-1H-pyrazol-5-yl)ethanone
SMILESCC(=O)c1cc(C(C)=O)[nH]n1
InChIInChI=1S/C7H8N2O2/c1-4(10)6-3-7(5(2)11)9-8-6/h3H,1-2H3,(H,8,9)
InChIKeyZMKSXYXCIYYSPZ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.81
Rot. Bonds2

About 1-(3-acetyl-1H-pyrazol-5-yl)ethanone

1-(3-acetyl-1H-pyrazol-5-yl)ethanone (PubChem CID 11446444) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1-(3-acetyl-1H-pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-acetyl-1H-pyrazol-5-yl)ethanone
PubChem CID11446444
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name1-(3-acetyl-1H-pyrazol-5-yl)ethanone
SMILESCC(=O)c1cc(C(C)=O)[nH]n1
InChIInChI=1S/C7H8N2O2/c1-4(10)6-3-7(5(2)11)9-8-6/h3H,1-2H3,(H,8,9)
InChIKeyZMKSXYXCIYYSPZ-UHFFFAOYSA-N
XLogP0.81
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-1H-pyrazol-5-yl)ethanone?
The IUPAC name of 1-(3-acetyl-1H-pyrazol-5-yl)ethanone (CID 11446444) is 1-(3-acetyl-1H-pyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-acetyl-1H-pyrazol-5-yl)ethanone?
The canonical SMILES for 1-(3-acetyl-1H-pyrazol-5-yl)ethanone is CC(=O)c1cc(C(C)=O)[nH]n1.
What is the InChIKey of 1-(3-acetyl-1H-pyrazol-5-yl)ethanone?
The InChIKey is ZMKSXYXCIYYSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-4(10)6-3-7(5(2)11)9-8-6/h3H,1-2H3,(H,8,9).
What are the key properties of 1-(3-acetyl-1H-pyrazol-5-yl)ethanone?
1-(3-acetyl-1H-pyrazol-5-yl)ethanone has a molecular weight of 152.15 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-1H-pyrazol-5-yl)ethanone is sourced from PubChem (CID 11446444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).