N-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide

C24H24F3N3O4 — CID 59492831

IUPACN-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide
SMILESCC(=O)N(C)C[C@@H](O)COc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C24H24F3N3O4/c1-14(31)29(2)12-16(32)13-34-17-8-19(15-10-28-30(3)11-15)22-18-6-4-5-7-20(18)23(33,21(22)9-17)24(25,26)27/h4-11,16,32-33H,12-13H2,1-3H3/t16-,23?/m1/s1
InChIKeyFKTNXEZGCIYYBS-ADRQNKRLSA-N
MW475.47 g/mol
LogP3.08
Rot. Bonds6

About N-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide

N-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide (PubChem CID 59492831) has the molecular formula C24H24F3N3O4 and a molecular weight of 475.47 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide
PubChem CID59492831
Molecular FormulaC24H24F3N3O4
Molecular Weight475.47 g/mol
Exact Mass475.17
IUPAC NameN-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide
SMILESCC(=O)N(C)C[C@@H](O)COc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C24H24F3N3O4/c1-14(31)29(2)12-16(32)13-34-17-8-19(15-10-28-30(3)11-15)22-18-6-4-5-7-20(18)23(33,21(22)9-17)24(25,26)27/h4-11,16,32-33H,12-13H2,1-3H3/t16-,23?/m1/s1
InChIKeyFKTNXEZGCIYYBS-ADRQNKRLSA-N
XLogP3.08
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylacetamide
CID 59492632
1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59492983
1-[4-(hydroxymethyl)piperidin-1-yl]-2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
CID 59492616
2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide
CID 162543700
1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59493033
[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 59493108
[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 59493229
5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one
CID 71164723
2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanoic acid
CID 59492526
3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide
CID 59492737
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-9-(trifluoromethyl)fluoren-9-ol
CID 46191615
[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-(1-methylpyrazol-4-yl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 143972535

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide (CID 59492831) is N-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide is CC(=O)N(C)C[C@@H](O)COc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of N-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide?
The InChIKey is FKTNXEZGCIYYBS-ADRQNKRLSA-N. The full InChI is InChI=1S/C24H24F3N3O4/c1-14(31)29(2)12-16(32)13-34-17-8-19(15-10-28-30(3)11-15)22-18-6-4-5-7-20(18)23(33,21(22)9-17)24(25,26)27/h4-11,16,32-33H,12-13H2,1-3H3/t16-,23?/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide?
N-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide has a molecular weight of 475.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide is sourced from PubChem (CID 59492831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).