[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C24H22F3N3O3 — CID 59493229

IUPAC[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCn1cc(-c2cc(C(=O)N3CCC[C@H]3CO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C24H22F3N3O3/c1-29-12-15(11-28-29)18-9-14(22(32)30-8-4-5-16(30)13-31)10-20-21(18)17-6-2-3-7-19(17)23(20,33)24(25,26)27/h2-3,6-7,9-12,16,31,33H,4-5,8,13H2,1H3/t16-,23?/m0/s1
InChIKeyCFECLLCUMPBDFB-GZWBLTSWSA-N
MW457.45 g/mol
LogP3.46
Rot. Bonds3

About [9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 59493229) has the molecular formula C24H22F3N3O3 and a molecular weight of 457.45 g/mol. Its IUPAC name is [9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID59493229
Molecular FormulaC24H22F3N3O3
Molecular Weight457.45 g/mol
Exact Mass457.16
IUPAC Name[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCn1cc(-c2cc(C(=O)N3CCC[C@H]3CO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C24H22F3N3O3/c1-29-12-15(11-28-29)18-9-14(22(32)30-8-4-5-16(30)13-31)10-20-21(18)17-6-2-3-7-19(17)23(20,33)24(25,26)27/h2-3,6-7,9-12,16,31,33H,4-5,8,13H2,1H3/t16-,23?/m0/s1
InChIKeyCFECLLCUMPBDFB-GZWBLTSWSA-N
XLogP3.46
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 59493108
[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-(1-methylpyrazol-4-yl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 143972535
1-[4-(hydroxymethyl)piperidin-1-yl]-2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
CID 59492616
1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59492983
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-9-(trifluoromethyl)fluoren-9-ol
CID 46191615
2-fluoro-4-[1-[1-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492888
1-[1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]pyrrolidin-2-yl]propan-1-one
CID 149285076
5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one
CID 71164723
2-(2,2-dimethylpropyl)-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492934
2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanoic acid
CID 59492526
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 143972525

Frequently Asked Questions

What is the IUPAC name of [9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 59493229) is [9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is Cn1cc(-c2cc(C(=O)N3CCC[C@H]3CO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of [9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is CFECLLCUMPBDFB-GZWBLTSWSA-N. The full InChI is InChI=1S/C24H22F3N3O3/c1-29-12-15(11-28-29)18-9-14(22(32)30-8-4-5-16(30)13-31)10-20-21(18)17-6-2-3-7-19(17)23(20,33)24(25,26)27/h2-3,6-7,9-12,16,31,33H,4-5,8,13H2,1H3/t16-,23?/m0/s1.
What are the key properties of [9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 457.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 59493229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).