1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

C11H18N2O3 — CID 105132702

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCOc1cnn(C)c1C(=O)COC(C)(C)C
InChIInChI=1S/C11H18N2O3/c1-11(2,3)16-7-8(14)10-9(15-5)6-12-13(10)4/h6H,7H2,1-5H3
InChIKeyUFPYAMKVLNBMKA-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.43
Rot. Bonds4

About 1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 105132702) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID105132702
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCOc1cnn(C)c1C(=O)COC(C)(C)C
InChIInChI=1S/C11H18N2O3/c1-11(2,3)16-7-8(14)10-9(15-5)6-12-13(10)4/h6H,7H2,1-5H3
InChIKeyUFPYAMKVLNBMKA-UHFFFAOYSA-N
XLogP1.43
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone
CID 105132749
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214413
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-4,4-dimethylhexan-1-one
CID 114669435
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one
CID 114641358
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
5-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pentan-1-one
CID 114669303
1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone
CID 114669257
3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one
CID 114641301
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
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 105132777

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 105132702) is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is COc1cnn(C)c1C(=O)COC(C)(C)C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is UFPYAMKVLNBMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(2,3)16-7-8(14)10-9(15-5)6-12-13(10)4/h6H,7H2,1-5H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 226.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 105132702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).