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

C25H19F4N5O2 — CID 171491101

IUPAC2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-4-ylpropanehydrazide
SMILESCC(C(=O)NNc1ccncc1)n1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C25H19F4N5O2/c1-14(23(35)33-32-17-6-8-30-9-7-17)34-13-15(12-31-34)19-10-16(26)11-21-22(19)18-4-2-3-5-20(18)24(21,36)25(27,28)29/h2-14,36H,1H3,(H,30,32)(H,33,35)
InChIKeyZAJQGHFAIDBTOC-UHFFFAOYSA-N
MW497.45 g/mol
LogP4.57
Rot. Bonds5

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

2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-4-ylpropanehydrazide (PubChem CID 171491101) has the molecular formula C25H19F4N5O2 and a molecular weight of 497.45 g/mol. Its IUPAC name is 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-4-ylpropanehydrazide.

Molecular Properties

Compound Name2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-4-ylpropanehydrazide
PubChem CID171491101
Molecular FormulaC25H19F4N5O2
Molecular Weight497.45 g/mol
Exact Mass497.15
IUPAC Name2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-4-ylpropanehydrazide
SMILESCC(C(=O)NNc1ccncc1)n1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C25H19F4N5O2/c1-14(23(35)33-32-17-6-8-30-9-7-17)34-13-15(12-31-34)19-10-16(26)11-21-22(19)18-4-2-3-5-20(18)24(21,36)25(27,28)29/h2-14,36H,1H3,(H,30,32)(H,33,35)
InChIKeyZAJQGHFAIDBTOC-UHFFFAOYSA-N
XLogP4.57
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.45
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-3-ylpropanehydrazide
CID 171491088
2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-methylsulfonylphenyl)propanehydrazide
CID 171491129
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
5-[4-[(9R)-2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2,2-dimethylpentanoic acid
CID 118516831
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
2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanoic acid
CID 59492526
4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492700

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-4-ylpropanehydrazide?
The IUPAC name of 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-4-ylpropanehydrazide (CID 171491101) is 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-4-ylpropanehydrazide.
What is the SMILES notation for 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-4-ylpropanehydrazide?
The canonical SMILES for 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-4-ylpropanehydrazide is CC(C(=O)NNc1ccncc1)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'-pyridin-4-ylpropanehydrazide?
The InChIKey is ZAJQGHFAIDBTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N5O2/c1-14(23(35)33-32-17-6-8-30-9-7-17)34-13-15(12-31-34)19-10-16(26)11-21-22(19)18-4-2-3-5-20(18)24(21,36)25(27,28)29/h2-14,36H,1H3,(H,30,32)(H,33,35).
What are the key properties of 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-4-ylpropanehydrazide?
2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-4-ylpropanehydrazide has a molecular weight of 497.45 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 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'-pyridin-4-ylpropanehydrazide is sourced from PubChem (CID 171491101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).