2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide

C21H18F3N3O2 — CID 59492994

IUPAC2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2cc(C)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C21H18F3N3O2/c1-12-7-15(13-9-26-27(10-13)11-18(28)25-2)19-14-5-3-4-6-16(14)20(29,17(19)8-12)21(22,23)24/h3-10,29H,11H2,1-2H3,(H,25,28)
InChIKeyDYUJQAQUBJQGIK-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.38
Rot. Bonds3

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

2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide (PubChem CID 59492994) has the molecular formula C21H18F3N3O2 and a molecular weight of 401.39 g/mol. Its IUPAC name is 2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide
PubChem CID59492994
Molecular FormulaC21H18F3N3O2
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC Name2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2cc(C)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C21H18F3N3O2/c1-12-7-15(13-9-26-27(10-13)11-18(28)25-2)19-14-5-3-4-6-16(14)20(29,17(19)8-12)21(22,23)24/h3-10,29H,11H2,1-2H3,(H,25,28)
InChIKeyDYUJQAQUBJQGIK-UHFFFAOYSA-N
XLogP3.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.38
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-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide (CID 59492994) is 2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(-c2cc(C)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is DYUJQAQUBJQGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2/c1-12-7-15(13-9-26-27(10-13)11-18(28)25-2)19-14-5-3-4-6-16(14)20(29,17(19)8-12)21(22,23)24/h3-10,29H,11H2,1-2H3,(H,25,28).
What are the key properties of 2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide?
2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 401.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 59492994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).