2-[1-(cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide

C25H24F3N3O2 — CID 59492481

IUPAC2-[1-(cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESNC(=O)c1cc(-c2cnn(CC3CCCCC3)c2)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C25H24F3N3O2/c26-25(27,28)24(33)20-9-5-4-8-18(20)22-19(23(29)32)10-16(11-21(22)24)17-12-30-31(14-17)13-15-6-2-1-3-7-15/h4-5,8-12,14-15,33H,1-3,6-7,13H2,(H2,29,32)
InChIKeyADQPEHBIUNFIJT-UHFFFAOYSA-N
MW455.48 g/mol
LogP5.01
Rot. Bonds4

About 2-[1-(cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide

2-[1-(cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide (PubChem CID 59492481) has the molecular formula C25H24F3N3O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
PubChem CID59492481
Molecular FormulaC25H24F3N3O2
Molecular Weight455.48 g/mol
Exact Mass455.18
IUPAC Name2-[1-(cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESNC(=O)c1cc(-c2cnn(CC3CCCCC3)c2)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C25H24F3N3O2/c26-25(27,28)24(33)20-9-5-4-8-18(20)22-19(23(29)32)10-16(11-21(22)24)17-12-30-31(14-17)13-15-6-2-1-3-7-15/h4-5,8-12,14-15,33H,1-3,6-7,13H2,(H2,29,32)
InChIKeyADQPEHBIUNFIJT-UHFFFAOYSA-N
XLogP5.01
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Azetidin-1-yl-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492980
(+)-3-[4-(9-hydroxy-2-methyl-9-trifluoromethyl-9H-fluoren-4-yl)-pyrazol-1-yl]-propionic acid
CID 46191561
(+)-4-[4-(9-hydroxy-2-methyl-9-trifluoromethyl-9H-fluoren-4-yl)-pyrazol-1-yl]-butyric acid
CID 46191616
(-)-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
2-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide
CID 59492473
[3-(2-Hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492475
[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
9-Hydroxy-2-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492647
4-[1-(2-Methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492700
3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide
CID 59492737

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The IUPAC name of 2-[1-(cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide (CID 59492481) is 2-[1-(cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The canonical SMILES for 2-[1-(cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide is NC(=O)c1cc(-c2cnn(CC3CCCCC3)c2)cc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 2-[1-(cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The InChIKey is ADQPEHBIUNFIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O2/c26-25(27,28)24(33)20-9-5-4-8-18(20)22-19(23(29)32)10-16(11-21(22)24)17-12-30-31(14-17)13-15-6-2-1-3-7-15/h4-5,8-12,14-15,33H,1-3,6-7,13H2,(H2,29,32).
What are the key properties of 2-[1-(cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
2-[1-(cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide has a molecular weight of 455.48 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide is sourced from PubChem (CID 59492481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).