1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one

C12H20N2O2 — CID 116707502

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one
SMILESCCOC(CC)C(=O)Cc1cc(C)nn1C
InChIInChI=1S/C12H20N2O2/c1-5-12(16-6-2)11(15)8-10-7-9(3)13-14(10)4/h7,12H,5-6,8H2,1-4H3
InChIKeyVWIZDGRCWVRVDE-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.66
Rot. Bonds6

About 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one

1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one (PubChem CID 116707502) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one
PubChem CID116707502
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one
SMILESCCOC(CC)C(=O)Cc1cc(C)nn1C
InChIInChI=1S/C12H20N2O2/c1-5-12(16-6-2)11(15)8-10-7-9(3)13-14(10)4/h7,12H,5-6,8H2,1-4H3
InChIKeyVWIZDGRCWVRVDE-UHFFFAOYSA-N
XLogP1.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
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1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one
CID 103457452
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone
CID 114978856
1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601573
1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 79078418
2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 110836652
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
N-(2,5-dimethylpyrazol-3-yl)-2-ethoxypropanamide
CID 60555284
1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 146134124
2-(2,5-dimethylpyrazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 110858132
3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-3-ethoxypropanoic acid
CID 122185442

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one (CID 116707502) is 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one is CCOC(CC)C(=O)Cc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one?
The InChIKey is VWIZDGRCWVRVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-12(16-6-2)11(15)8-10-7-9(3)13-14(10)4/h7,12H,5-6,8H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one?
1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one is sourced from PubChem (CID 116707502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).