2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone

C13H13FN2O2 — CID 114639081

IUPAC2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
SMILESCOc1cnn(C)c1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2/c1-16-13(12(18-2)8-15-16)11(17)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyDPZFMYXOGBXYKL-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.99
Rot. Bonds4

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

2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone (PubChem CID 114639081) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
PubChem CID114639081
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
SMILESCOc1cnn(C)c1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2/c1-16-13(12(18-2)8-15-16)11(17)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyDPZFMYXOGBXYKL-UHFFFAOYSA-N
XLogP1.99
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone
CID 114639767
2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114639086
(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114641498
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone
CID 105132749
1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105132702
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214413
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 115809538
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-piperazin-1-ylethanone
CID 114668690
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone
CID 114639397

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone (CID 114639081) is 2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone is COc1cnn(C)c1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone?
The InChIKey is DPZFMYXOGBXYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-16-13(12(18-2)8-15-16)11(17)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone?
2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone has a molecular weight of 248.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 114639081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).