1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C9H11F3N2O3 — CID 103214413

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCOc1cnn(C)c1C(=O)COCC(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c1-14-8(7(16-2)3-13-14)6(15)4-17-5-9(10,11)12/h3H,4-5H2,1-2H3
InChIKeyUSJSLRBYHHRPON-UHFFFAOYSA-N
MW252.19 g/mol
LogP1.19
Rot. Bonds5

About 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103214413) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103214413
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCOc1cnn(C)c1C(=O)COCC(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c1-14-8(7(16-2)3-13-14)6(15)4-17-5-9(10,11)12/h3H,4-5H2,1-2H3
InChIKeyUSJSLRBYHHRPON-UHFFFAOYSA-N
XLogP1.19
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214416
1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105132702
1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone
CID 105132749
3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
CID 103311593
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
CID 114639081
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
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
1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone
CID 114669257
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 105132777
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one
CID 114668168

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103214413) is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone is COc1cnn(C)c1C(=O)COCC(F)(F)F.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is USJSLRBYHHRPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c1-14-8(7(16-2)3-13-14)6(15)4-17-5-9(10,11)12/h3H,4-5H2,1-2H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 252.19 g/mol, XLogP of 1.19, 5 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-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103214413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).