2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one

C10H16N2O3 — CID 114641358

IUPAC2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one
SMILESCOc1cnn(C)c1C(=O)C(C)(C)OC
InChIInChI=1S/C10H16N2O3/c1-10(2,15-5)9(13)8-7(14-4)6-11-12(8)3/h6H,1-5H3
InChIKeyGTSWRTFBYSRQHO-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.04
Rot. Bonds4

About 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one

2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one (PubChem CID 114641358) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one
PubChem CID114641358
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one
SMILESCOc1cnn(C)c1C(=O)C(C)(C)OC
InChIInChI=1S/C10H16N2O3/c1-10(2,15-5)9(13)8-7(14-4)6-11-12(8)3/h6H,1-5H3
InChIKeyGTSWRTFBYSRQHO-UHFFFAOYSA-N
XLogP1.04
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105132702
(4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809508
3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
CID 103311593
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-4,4-dimethylhexan-1-one
CID 114669435
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 115809538
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylcyclopropyl)methanone
CID 114640859
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114642639
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214413
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809603
6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809767

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one?
The IUPAC name of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one (CID 114641358) is 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one is COc1cnn(C)c1C(=O)C(C)(C)OC.
What is the InChIKey of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one?
The InChIKey is GTSWRTFBYSRQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-10(2,15-5)9(13)8-7(14-4)6-11-12(8)3/h6H,1-5H3.
What are the key properties of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one?
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one has a molecular weight of 212.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 114641358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).