1-(1-methylpyrazol-3-yl)ethanone

C6H8N2O — CID 15710468

IUPAC1-(1-methylpyrazol-3-yl)ethanone
SMILESCC(=O)c1ccn(C)n1
InChIInChI=1S/C6H8N2O/c1-5(9)6-3-4-8(2)7-6/h3-4H,1-2H3
InChIKeyFSDAUKGXAFKQQP-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.62
Rot. Bonds1

About 1-(1-methylpyrazol-3-yl)ethanone

1-(1-methylpyrazol-3-yl)ethanone (PubChem CID 15710468) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)ethanone
PubChem CID15710468
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1-(1-methylpyrazol-3-yl)ethanone
SMILESCC(=O)c1ccn(C)n1
InChIInChI=1S/C6H8N2O/c1-5(9)6-3-4-8(2)7-6/h3-4H,1-2H3
InChIKeyFSDAUKGXAFKQQP-UHFFFAOYSA-N
XLogP0.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(1-methylpyrazol-3-yl)ethanone (CID 15710468) is 1-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)ethanone is CC(=O)c1ccn(C)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is FSDAUKGXAFKQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5(9)6-3-4-8(2)7-6/h3-4H,1-2H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)ethanone?
1-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 124.14 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 15710468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).