3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one

C11H18N2O2 — CID 116746650

IUPAC3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
SMILESCCC(C)(OC)C(=O)Cc1cnn(C)c1
InChIInChI=1S/C11H18N2O2/c1-5-11(2,15-4)10(14)6-9-7-12-13(3)8-9/h7-8H,5-6H2,1-4H3
InChIKeyLZLQNRUCDYHEPE-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.35
Rot. Bonds5

About 3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one

3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one (PubChem CID 116746650) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
PubChem CID116746650
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
SMILESCCC(C)(OC)C(=O)Cc1cnn(C)c1
InChIInChI=1S/C11H18N2O2/c1-5-11(2,15-4)10(14)6-9-7-12-13(3)8-9/h7-8H,5-6H2,1-4H3
InChIKeyLZLQNRUCDYHEPE-UHFFFAOYSA-N
XLogP1.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116610954
tert-butyl 2-(1-methylpyrazol-4-yl)acetate
CID 71758654
3-methoxy-3-methyl-1-phenylpentan-2-one
CID 116746653
1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 116588939
1-ethylsulfanyl-3-(1-methylpyrazol-4-yl)propan-2-one
CID 65130546
1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62534696
N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 138992861
2,2-dimethyl-6-(1-methylpyrazol-4-yl)hexan-3-one
CID 64505015
4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012385
2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 78969503
4-[2-(bromomethyl)-2-methylbutyl]-1-methylpyrazole
CID 66050049
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one?
The IUPAC name of 3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one (CID 116746650) is 3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one.
What is the SMILES notation for 3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one?
The canonical SMILES for 3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one is CCC(C)(OC)C(=O)Cc1cnn(C)c1.
What is the InChIKey of 3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one?
The InChIKey is LZLQNRUCDYHEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-11(2,15-4)10(14)6-9-7-12-13(3)8-9/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one?
3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.35, 5 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-4-yl)pentan-2-one is sourced from PubChem (CID 116746650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).