9-hydroxy-N-(4-hydroxybutyl)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide

C23H22F3N3O3 — CID 59493046

IUPAC9-hydroxy-N-(4-hydroxybutyl)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide
SMILESCn1cc(-c2cc(C(=O)NCCCCO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C23H22F3N3O3/c1-29-13-15(12-28-29)17-10-14(21(31)27-8-4-5-9-30)11-19-20(17)16-6-2-3-7-18(16)22(19,32)23(24,25)26/h2-3,6-7,10-13,30,32H,4-5,8-9H2,1H3,(H,27,31)
InChIKeyYCLOHZBFSRPZLT-UHFFFAOYSA-N
MW445.44 g/mol
LogP3.37
Rot. Bonds6

About 9-hydroxy-N-(4-hydroxybutyl)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide

9-hydroxy-N-(4-hydroxybutyl)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide (PubChem CID 59493046) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is 9-hydroxy-N-(4-hydroxybutyl)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide.

Molecular Properties

Compound Name9-hydroxy-N-(4-hydroxybutyl)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide
PubChem CID59493046
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name9-hydroxy-N-(4-hydroxybutyl)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide
SMILESCn1cc(-c2cc(C(=O)NCCCCO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C23H22F3N3O3/c1-29-13-15(12-28-29)17-10-14(21(31)27-8-4-5-9-30)11-19-20(17)16-6-2-3-7-18(16)22(19,32)23(24,25)26/h2-3,6-7,10-13,30,32H,4-5,8-9H2,1H3,(H,27,31)
InChIKeyYCLOHZBFSRPZLT-UHFFFAOYSA-N
XLogP3.37
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide
CID 59492521
Azetidin-1-yl-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492980
(-)-2-(1-ethyl-1H-pyrazol-4-yl)-9-hydroxy-9-trifluoromethyl-9H-fluorene-4-carboxamide
CID 46191680
[9-Hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone
CID 46191681
[3-(2-Hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492475
2-[1-(Cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492481
[9-Hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 59492511
3-[4-[4-Acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]propanoic acid
CID 59492543
N-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide
CID 59492642
9-Hydroxy-2-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492647
9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide
CID 59492751
5-[4-[9-Hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid
CID 59492778

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-N-(4-hydroxybutyl)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide?
The IUPAC name of 9-hydroxy-N-(4-hydroxybutyl)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide (CID 59493046) is 9-hydroxy-N-(4-hydroxybutyl)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide.
What is the SMILES notation for 9-hydroxy-N-(4-hydroxybutyl)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide?
The canonical SMILES for 9-hydroxy-N-(4-hydroxybutyl)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide is Cn1cc(-c2cc(C(=O)NCCCCO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 9-hydroxy-N-(4-hydroxybutyl)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide?
The InChIKey is YCLOHZBFSRPZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-29-13-15(12-28-29)17-10-14(21(31)27-8-4-5-9-30)11-19-20(17)16-6-2-3-7-18(16)22(19,32)23(24,25)26/h2-3,6-7,10-13,30,32H,4-5,8-9H2,1H3,(H,27,31).
What are the key properties of 9-hydroxy-N-(4-hydroxybutyl)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide?
9-hydroxy-N-(4-hydroxybutyl)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide has a molecular weight of 445.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-N-(4-hydroxybutyl)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide is sourced from PubChem (CID 59493046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).