4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one

C11H18N2O3 — CID 105132777

IUPAC4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one
SMILESCOCC(C)CC(=O)c1c(OC)cnn1C
InChIInChI=1S/C11H18N2O3/c1-8(7-15-3)5-9(14)11-10(16-4)6-12-13(11)2/h6,8H,5,7H2,1-4H3
InChIKeyQHARCAXGKULDOP-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.28
Rot. Bonds6

About 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one

4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one (PubChem CID 105132777) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one
PubChem CID105132777
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one
SMILESCOCC(C)CC(=O)c1c(OC)cnn1C
InChIInChI=1S/C11H18N2O3/c1-8(7-15-3)5-9(14)11-10(16-4)6-12-13(11)2/h6,8H,5,7H2,1-4H3
InChIKeyQHARCAXGKULDOP-UHFFFAOYSA-N
XLogP1.28
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one
CID 105135356
1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone
CID 105132749
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
CID 114668516
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105132702
1-(4-chloro-1-propylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one
CID 105131020
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 115809538
5-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pentan-1-one
CID 114669303
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-4,4-dimethylhexan-1-one
CID 114669435
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one
CID 114668168
1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone
CID 114639767

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one?
The IUPAC name of 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one (CID 105132777) is 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one.
What is the SMILES notation for 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one?
The canonical SMILES for 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one is COCC(C)CC(=O)c1c(OC)cnn1C.
What is the InChIKey of 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one?
The InChIKey is QHARCAXGKULDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8(7-15-3)5-9(14)11-10(16-4)6-12-13(11)2/h6,8H,5,7H2,1-4H3.
What are the key properties of 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one?
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one has a molecular weight of 226.28 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one is sourced from PubChem (CID 105132777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).