2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide

C27H22F4N4O4S — CID 171491129

IUPAC2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide
SMILESCC(C(=O)NNc1ccc(S(C)(=O)=O)cc1)n1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C27H22F4N4O4S/c1-15(25(36)34-33-18-7-9-19(10-8-18)40(2,38)39)35-14-16(13-32-35)21-11-17(28)12-23-24(21)20-5-3-4-6-22(20)26(23,37)27(29,30)31/h3-15,33,37H,1-2H3,(H,34,36)
InChIKeyAHDMGRITDVDESW-UHFFFAOYSA-N
MW574.56 g/mol
LogP4.58
Rot. Bonds6

About 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide

2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide (PubChem CID 171491129) has the molecular formula C27H22F4N4O4S and a molecular weight of 574.56 g/mol. Its IUPAC name is 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide.

Molecular Properties

Compound Name2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide
PubChem CID171491129
Molecular FormulaC27H22F4N4O4S
Molecular Weight574.56 g/mol
Exact Mass574.13
IUPAC Name2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide
SMILESCC(C(=O)NNc1ccc(S(C)(=O)=O)cc1)n1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C27H22F4N4O4S/c1-15(25(36)34-33-18-7-9-19(10-8-18)40(2,38)39)35-14-16(13-32-35)21-11-17(28)12-23-24(21)20-5-3-4-6-22(20)26(23,37)27(29,30)31/h3-15,33,37H,1-2H3,(H,34,36)
InChIKeyAHDMGRITDVDESW-UHFFFAOYSA-N
XLogP4.58
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.56
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-fluorophenyl)propanehydrazide
CID 171491108
2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-4-ylpropanehydrazide
CID 171491101
2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-3-ylpropanehydrazide
CID 171491088
N-(azepan-1-yl)-2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide
CID 171491095
2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 162559147
2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-2-ylacetohydrazide
CID 171491118
2-ethyl-2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol
CID 59492758
2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide
CID 59492901
2-fluoro-4-[1-[1-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492888
N-[3-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propyl]methanesulfonamide
CID 59492886
4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol
CID 143972629
2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanoic acid
CID 59492526

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide?
The IUPAC name of 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide (CID 171491129) is 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide.
What is the SMILES notation for 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide?
The canonical SMILES for 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide is CC(C(=O)NNc1ccc(S(C)(=O)=O)cc1)n1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide?
The InChIKey is AHDMGRITDVDESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F4N4O4S/c1-15(25(36)34-33-18-7-9-19(10-8-18)40(2,38)39)35-14-16(13-32-35)21-11-17(28)12-23-24(21)20-5-3-4-6-22(20)26(23,37)27(29,30)31/h3-15,33,37H,1-2H3,(H,34,36).
What are the key properties of 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide?
2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide has a molecular weight of 574.56 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide is sourced from PubChem (CID 171491129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).