2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide

C22H20F3N3O2 — CID 59492901

IUPAC2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C22H20F3N3O2/c1-13(2)27-19(29)12-28-11-14(10-26-28)15-7-5-9-18-20(15)16-6-3-4-8-17(16)21(18,30)22(23,24)25/h3-11,13,30H,12H2,1-2H3,(H,27,29)
InChIKeyOSUXGRHDJQXKPX-UHFFFAOYSA-N
MW415.42 g/mol
LogP3.85
Rot. Bonds4

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

2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 59492901) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide
PubChem CID59492901
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C22H20F3N3O2/c1-13(2)27-19(29)12-28-11-14(10-26-28)15-7-5-9-18-20(15)16-6-3-4-8-17(16)21(18,30)22(23,24)25/h3-11,13,30H,12H2,1-2H3,(H,27,29)
InChIKeyOSUXGRHDJQXKPX-UHFFFAOYSA-N
XLogP3.85
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide (CID 59492901) is 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is OSUXGRHDJQXKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-13(2)27-19(29)12-28-11-14(10-26-28)15-7-5-9-18-20(15)16-6-3-4-8-17(16)21(18,30)22(23,24)25/h3-11,13,30H,12H2,1-2H3,(H,27,29).
What are the key properties of 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide?
2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 415.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 59492901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).