1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese

C12H11FMnN2O2 — CID 177064731

IUPAC1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese
SMILESCC(=O)c1c(C)nn(-c2ccccc2F)c1O.[Mn]
InChIInChI=1S/C12H11FN2O2.Mn/c1-7-11(8(2)16)12(17)15(14-7)10-6-4-3-5-9(10)13;/h3-6,17H,1-2H3;
InChIKeyDEGRNWPLTKUVGL-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.23
Rot. Bonds2

About 1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese

1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese (PubChem CID 177064731) has the molecular formula C12H11FMnN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese
PubChem CID177064731
Molecular FormulaC12H11FMnN2O2
Molecular Weight289.17 g/mol
Exact Mass289.02
IUPAC Name1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese
SMILESCC(=O)c1c(C)nn(-c2ccccc2F)c1O.[Mn]
InChIInChI=1S/C12H11FN2O2.Mn/c1-7-11(8(2)16)12(17)15(14-7)10-6-4-3-5-9(10)13;/h3-6,17H,1-2H3;
InChIKeyDEGRNWPLTKUVGL-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(2-fluorophenyl)-3-methylpyrazole-4-carboxylic acid
CID 71044411
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-oxoacetic acid
CID 82133196
1-[3-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanone
CID 67955069
1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone
CID 84673857
[5-hydroxy-3-methyl-1-(2,3,5,6-tetrafluorophenyl)pyrazol-4-yl]-[2-(trifluoromethyl)phenyl]methanone;manganese
CID 177064688
methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 61381036
methyl 5-chloro-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 25247734
3-chloro-1-(2-fluorophenyl)-5-methylpyrazole
CID 59022674
[3,5-bis(5-hydroxy-3-methyl-1-phenylpyrazole-4-carbonyl)phenyl]-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)methanone
CID 136797774
(2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone
CID 136722892
5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole
CID 43156592
[5-hydroxy-3-methyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;zinc
CID 177064829

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese?
The IUPAC name of 1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese (CID 177064731) is 1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese.
What is the SMILES notation for 1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese?
The canonical SMILES for 1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese is CC(=O)c1c(C)nn(-c2ccccc2F)c1O.[Mn].
What is the InChIKey of 1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese?
The InChIKey is DEGRNWPLTKUVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2.Mn/c1-7-11(8(2)16)12(17)15(14-7)10-6-4-3-5-9(10)13;/h3-6,17H,1-2H3;.
What are the key properties of 1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese?
1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese has a molecular weight of 289.17 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]ethanone;manganese is sourced from PubChem (CID 177064731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).