N-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide

C21H18F3N3O2 — CID 59492642

IUPACN-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide
SMILESCCNC(=O)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C21H18F3N3O2/c1-2-25-18(28)12-27-11-13(10-26-27)14-7-5-9-17-19(14)15-6-3-4-8-16(15)20(17,29)21(22,23)24/h3-11,29H,2,12H2,1H3,(H,25,28)
InChIKeyIJXANKIDUCXILM-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.46
Rot. Bonds4

About N-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide

N-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide (PubChem CID 59492642) has the molecular formula C21H18F3N3O2 and a molecular weight of 401.39 g/mol. Its IUPAC name is N-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide
PubChem CID59492642
Molecular FormulaC21H18F3N3O2
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC NameN-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide
SMILESCCNC(=O)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C21H18F3N3O2/c1-2-25-18(28)12-27-11-13(10-26-27)14-7-5-9-17-19(14)15-6-3-4-8-16(15)20(17,29)21(22,23)24/h3-11,29H,2,12H2,1H3,(H,25,28)
InChIKeyIJXANKIDUCXILM-UHFFFAOYSA-N
XLogP3.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide
CID 59492901
2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 59492627
3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide
CID 59493073
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
2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-2-ylacetohydrazide
CID 171491118
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-9-(trifluoromethyl)fluoren-9-ol
CID 46191615
5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one
CID 71164723
2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492745
N-[3-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propyl]methanesulfonamide
CID 59492886
5-[4-[(9R)-2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2,2-dimethylpentanoic acid
CID 118516831
2-(2,2-dimethylpropyl)-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492934

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide (CID 59492642) is N-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide is CCNC(=O)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of N-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide?
The InChIKey is IJXANKIDUCXILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2/c1-2-25-18(28)12-27-11-13(10-26-27)14-7-5-9-17-19(14)15-6-3-4-8-16(15)20(17,29)21(22,23)24/h3-11,29H,2,12H2,1H3,(H,25,28).
What are the key properties of N-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide?
N-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide has a molecular weight of 401.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 59492642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).