3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one

C10H16N2O2 — CID 103133867

IUPAC3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one
SMILESCOC(C)(C)CC(=O)c1ccn(C)n1
InChIInChI=1S/C10H16N2O2/c1-10(2,14-4)7-9(13)8-5-6-12(3)11-8/h5-6H,7H2,1-4H3
InChIKeyAAFALDZPMREMPY-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.42
Rot. Bonds4

About 3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one

3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one (PubChem CID 103133867) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one
PubChem CID103133867
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one
SMILESCOC(C)(C)CC(=O)c1ccn(C)n1
InChIInChI=1S/C10H16N2O2/c1-10(2,14-4)7-9(13)8-5-6-12(3)11-8/h5-6H,7H2,1-4H3
InChIKeyAAFALDZPMREMPY-UHFFFAOYSA-N
XLogP1.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(1-methylpyrazol-3-yl)-4-oxobutanoate
CID 166705249
2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone
CID 103130364
2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone
CID 79567430
3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one
CID 103133558
2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone
CID 103133024
ethyl 4-(1-methylpyrazol-3-yl)-2,4-dioxobutanoate
CID 103119226
1-methylpyrazole-3-carboxamide
CID 13464586
2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone
CID 103133858
4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one
CID 103133153
N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide
CID 103726489
2-cyclopentyl-1-(1-methylpyrazol-3-yl)ethanone
CID 65195587
1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-3-yl)propane-1,3-dione
CID 103119486

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one?
The IUPAC name of 3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one (CID 103133867) is 3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one.
What is the SMILES notation for 3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one?
The canonical SMILES for 3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one is COC(C)(C)CC(=O)c1ccn(C)n1.
What is the InChIKey of 3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one?
The InChIKey is AAFALDZPMREMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,14-4)7-9(13)8-5-6-12(3)11-8/h5-6H,7H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one?
3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one has a molecular weight of 196.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one is sourced from PubChem (CID 103133867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).