1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone

C11H12N2O2 — CID 115092922

IUPAC1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C)o2)nn1C
InChIInChI=1S/C11H12N2O2/c1-7-4-5-11(15-7)9-6-10(8(2)14)13(3)12-9/h4-6H,1-3H3
InChIKeyBWHBULCNCLOTKG-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.19
Rot. Bonds2

About 1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone

1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone (PubChem CID 115092922) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone
PubChem CID115092922
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C)o2)nn1C
InChIInChI=1S/C11H12N2O2/c1-7-4-5-11(15-7)9-6-10(8(2)14)13(3)12-9/h4-6H,1-3H3
InChIKeyBWHBULCNCLOTKG-UHFFFAOYSA-N
XLogP2.19
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone?
The IUPAC name of 1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone (CID 115092922) is 1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone?
The canonical SMILES for 1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone is CC(=O)c1cc(-c2ccc(C)o2)nn1C.
What is the InChIKey of 1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone?
The InChIKey is BWHBULCNCLOTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-4-5-11(15-7)9-6-10(8(2)14)13(3)12-9/h4-6H,1-3H3.
What are the key properties of 1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone?
1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone has a molecular weight of 204.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone is sourced from PubChem (CID 115092922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).