6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one

C12H20N2O2 — CID 103024323

IUPAC6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one
SMILESCOCC(C)CC(=O)CCc1ccnn1C
InChIInChI=1S/C12H20N2O2/c1-10(9-16-3)8-12(15)5-4-11-6-7-13-14(11)2/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyIMONOQUSWWUIPL-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.59
Rot. Bonds7

About 6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one

6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one (PubChem CID 103024323) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one.

Molecular Properties

Compound Name6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one
PubChem CID103024323
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one
SMILESCOCC(C)CC(=O)CCc1ccnn1C
InChIInChI=1S/C12H20N2O2/c1-10(9-16-3)8-12(15)5-4-11-6-7-13-14(11)2/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyIMONOQUSWWUIPL-UHFFFAOYSA-N
XLogP1.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one?
The IUPAC name of 6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one (CID 103024323) is 6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one.
What is the SMILES notation for 6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one?
The canonical SMILES for 6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one is COCC(C)CC(=O)CCc1ccnn1C.
What is the InChIKey of 6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one?
The InChIKey is IMONOQUSWWUIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(9-16-3)8-12(15)5-4-11-6-7-13-14(11)2/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one?
6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one has a molecular weight of 224.30 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one is sourced from PubChem (CID 103024323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).