[3,5-bis(trifluoromethyl)phenyl]-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazol-4-yl]methanone;manganese

C20H10F10MnN2O2 — CID 177064674

IUPAC[3,5-bis(trifluoromethyl)phenyl]-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazol-4-yl]methanone;manganese
SMILESCc1nn(-c2cc(F)cc(C(F)(F)F)c2)c(O)c1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[Mn]
InChIInChI=1S/C20H10F10N2O2.Mn/c1-8-15(16(33)9-2-10(18(22,23)24)4-11(3-9)19(25,26)27)17(34)32(31-8)14-6-12(20(28,29)30)5-13(21)7-14;/h2-7,34H,1H3;
InChIKeyJFLMBZKAEGJUHS-UHFFFAOYSA-N
MW555.23 g/mol
LogP6.31
Rot. Bonds3

About [3,5-bis(trifluoromethyl)phenyl]-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazol-4-yl]methanone;manganese

[3,5-bis(trifluoromethyl)phenyl]-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazol-4-yl]methanone;manganese (PubChem CID 177064674) has the molecular formula C20H10F10MnN2O2 and a molecular weight of 555.23 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazol-4-yl]methanone;manganese.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazol-4-yl]methanone;manganese
PubChem CID177064674
Molecular FormulaC20H10F10MnN2O2
Molecular Weight555.23 g/mol
Exact Mass555.00
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazol-4-yl]methanone;manganese
SMILESCc1nn(-c2cc(F)cc(C(F)(F)F)c2)c(O)c1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[Mn]
InChIInChI=1S/C20H10F10N2O2.Mn/c1-8-15(16(33)9-2-10(18(22,23)24)4-11(3-9)19(25,26)27)17(34)32(31-8)14-6-12(20(28,29)30)5-13(21)7-14;/h2-7,34H,1H3;
InChIKeyJFLMBZKAEGJUHS-UHFFFAOYSA-N
XLogP6.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.23
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-[5-hydroxy-3-methyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-yl]methanone;copper
CID 177209962
copper;4-[1-[4-cyano-3,5-bis(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazole-4-carbonyl]-2,6-bis(trifluoromethyl)benzonitrile
CID 177064558
[3,5-difluoro-4-(trifluoromethyl)phenyl]-[5-hydroxy-3-methyl-1-(2,3,5,6-tetrafluorophenyl)pyrazol-4-yl]methanone;manganese
CID 177064644
[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-bis(trifluoromethyl)-4-pyridinyl]-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone;copper
CID 177209943
copper;(2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 177209955
(2,6-difluoro-4-pyridinyl)-[5-hydroxy-3-methyl-1-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]methanone;zinc
CID 177064863
3-(5-methylimidazol-1-yl)-5-(trifluoromethyl)benzoic acid
CID 67213701
[5-hydroxy-3-methyl-1-(2,3,5,6-tetrafluorophenyl)pyrazol-4-yl]-[2-(trifluoromethyl)phenyl]methanone;manganese
CID 177064688
2,2-dichloro-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
CID 146008732
3,5-bis(trifluoromethyl)benzoic acid;ethane
CID 143967931
[2,6-bis(trifluoromethyl)phenyl]-[5-hydroxy-3-methyl-1-(2,3,5,6-tetrafluorophenyl)pyrazol-4-yl]methanone;copper
CID 177209872

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazol-4-yl]methanone;manganese?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazol-4-yl]methanone;manganese (CID 177064674) is [3,5-bis(trifluoromethyl)phenyl]-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazol-4-yl]methanone;manganese.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazol-4-yl]methanone;manganese?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazol-4-yl]methanone;manganese is Cc1nn(-c2cc(F)cc(C(F)(F)F)c2)c(O)c1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[Mn].
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazol-4-yl]methanone;manganese?
The InChIKey is JFLMBZKAEGJUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F10N2O2.Mn/c1-8-15(16(33)9-2-10(18(22,23)24)4-11(3-9)19(25,26)27)17(34)32(31-8)14-6-12(20(28,29)30)5-13(21)7-14;/h2-7,34H,1H3;.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazol-4-yl]methanone;manganese?
[3,5-bis(trifluoromethyl)phenyl]-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazol-4-yl]methanone;manganese has a molecular weight of 555.23 g/mol, XLogP of 6.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-3-methylpyrazol-4-yl]methanone;manganese is sourced from PubChem (CID 177064674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).